data_MnBiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   7.86
_cell_length_c   3.56
_cell_angle_alpha   83.02
_cell_angle_beta   71.54
_cell_angle_gamma   25.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiBr
_chemical_formula_sum   'Mn1 Bi1 Br1'
_cell_volume   85.89
_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
  Mn  Mn2  1  0.84  0.05  0.96  1.0
  Bi  Bi0  1  0.84  0.05  0.77  1.0
  Br  Br1  1  0.84  0.05  0.85  1.0

data_MnBiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   15.29
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   121.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBiBr
_chemical_formula_sum   'Mn2 Bi2 Br2'
_cell_volume   171.77
_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
  Mn  Mn0  2  0.34  0.5  0.8  1.0
  Bi  Bi1  2  0.34  0.5  0.62  1.0
  Br  Br2  2  0.34  0.5  0.7  1.0

Mn Bi Br