data_MnBiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBiBr2
_chemical_formula_sum   'Mn1 Bi1 Br2'
_cell_volume   105.55
_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  Mn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.41  0.41  0.0  1.0
  Br  Br1  1  0.41  0.0  0.27  1.0
  Br  Br2  1  0.0  0.41  0.27  1.0

data_MnBiBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBiBr2
_chemical_formula_sum   'Mn2 Bi2 Br4'
_cell_volume   211.09
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.41  0.0  0.0  1.0
  Br  Br2  4  0.21  0.21  0.27  1.0

Mn Bi Br Br
Mn Bi Br Br 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 