[CIF]
data_CaAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89286964
_cell_length_b   3.89286964
_cell_length_c   6.32720121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Se
_chemical_formula_sum   'Ca1 Ag2 Se1'
_cell_volume   95.88515311
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ag  Ag0  1  0.00000000  0.00000000  0.47279555  1
  Ag  Ag1  1  1.94643482  1.94643482  1.23353204  1
  Ca  Ca2  1  0.00000000  0.00000000  3.51308730  1
  Se  Se3  1  1.94643482  1.94643482  4.27138692  1
[/CIF]
