data_ETV

#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                   8.7503
_cell_length_b                   9.6479
_cell_length_c                  10.2719
_cell_angle_alpha              105.7200
_cell_angle_beta               100.1900
_cell_angle_gamma               97.0200

_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number         2
_symmetry_cell_setting             triclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,-y,-z'
  
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1   Si     0.5462    0.3074   0.1830
Si2   Si     0.5543    0.3985   0.8022
Si3   Si     0.5720    0.0660   0.3233
Si4   Si     0.3062    0.8514   0.3594
Si5   Si     0.3282    0.1836   0.8867
Si6   Si     0.9955    0.7220   0.1426
Si7   Si     0.8127    0.4160   0.0600
O1    O      0.5550    0.2212   0.2975
O2    O      0.6888    0.4517   0.9431
O3    O      0.3997    0.9766   0.3116
O4    O      0.3997    0.3095   0.8273
O5    O      0.4226    0.2094   0.0432
O6    O      0.1229    0.8156   0.2817
O7    O      0.4897    0.4606   0.2413
O8    O      0.7183    0.3390   0.1504
O9    O      0.1446    0.1887   0.8848
O10   O      0.6790    0.0928   0.4756
O11   O      0.6549    0.9739   0.2089
O12   O      0.3816    0.7055   0.3195
O13   O      0.9234    0.5671   0.1585
O14   O      0.9196    0.3078   0.9867

