# CIF file
# This file was generated by FINDSYM
# Harold T. Stokes, Branton J. Campbell, Dorian M. Hatch
# Brigham Young University, Provo, Utah, USA
 
data_findsym-output
 
_symmetry_space_group_name_H-M 'P 3'
_symmetry_Int_Tables_number 143
 
_cell_length_a       7.63800
_cell_length_b       7.63800
_cell_length_c       3.61500
_cell_angle_alpha   90.00000
_cell_angle_beta    90.00000
_cell_angle_gamma  120.00000
 
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca   0.33333   0.66667  -0.48408   1.00000
Cl1 Cl   0.66667   0.33333   0.00162   1.00000
Cl2 Cl   0.00000   0.00000   0.07910   1.00000
H1  H   -0.02696  -0.45046   0.04793   1.00000
H2  H    0.10519  -0.21194  -0.02199   1.00000
H3  H   -0.11478   0.31535  -0.35890   1.00000
H4  H   -0.01399   0.20960   0.41829   1.00000
O1  O    0.11308  -0.33587   0.01928   1.00000
O2  O    0.01292   0.33905  -0.47016   1.00000
 
# end_of_file