data_CrBiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   127.99
_cell_angle_beta   127.99
_cell_angle_gamma   76.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiBr2
_chemical_formula_sum   'Cr1 Bi1 Br2'
_cell_volume   104.08
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.37  1.0
  Br  Br1  1  0.0  0.44  0.18  1.0
  Br  Br2  1  0.44  0.0  0.18  1.0

data_CrBiBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   128.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrBiBr2
_chemical_formula_sum   'Cr2 Bi2 Br4'
_cell_volume   208.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.13  0.5  0.63  1.0
  Br  Br2  4  0.04  0.22  0.26  1.0

Cr Bi Br Br
Cr Bi Br Br 0 2 o o o 0 3 o o o 0 1 o o o 