data_CrAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   153.59
_cell_angle_beta   141.5
_cell_angle_gamma   47.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Br
_chemical_formula_sum   'Cr1 Ag2 Br1'
_cell_volume   92.25
_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  Cr3  1  0.0  0.0  0.23  1.0
  Ag  Ag0  1  0.0  0.29  0.24  1.0
  Ag  Ag1  1  0.0  0.0  0.68  1.0
  Br  Br2  1  0.0  0.29  0.92  1.0

data_CrAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.58
_cell_length_c   6.94
_cell_angle_alpha   109.25
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Br
_chemical_formula_sum   'Cr1 Ag2 Br1'
_cell_volume   92.25
_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  0.77  0.77  0.77  1.0
  Ag  Ag1  1  0.32  0.32  0.32  1.0
  Ag  Ag2  1  0.76  0.05  0.05  1.0
  Br  Br3  1  0.08  0.37  0.37  1.0

Cr Ag Ag Br