data_CrAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   5.15
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Se
_chemical_formula_sum   'Cr1 Ag2 Se1'
_cell_volume   77.28
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.81  0.57  0.03  1.0
  Ag  Ag1  1  0.93  0.57  0.99  1.0
  Se  Se3  1  0.87  0.0  0.01  1.0

data_CrAg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.02
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Se
_chemical_formula_sum   'Cr1 Ag2 Se1'
_cell_volume   77.28
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.07  0.01  0.43  1.0
  Ag  Ag2  1  0.19  0.97  0.43  1.0
  Se  Se3  1  0.13  0.99  0.0  1.0

Cr Ag Ag Se