data_Mn2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   152.21
_cell_angle_beta   141.01
_cell_angle_gamma   48.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InBr
_chemical_formula_sum   'Mn2 In1 Br1'
_cell_volume   85.65
_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  0.0  0.0  0.81  1.0
  Mn  Mn3  1  0.6  0.0  0.09  1.0
  In  In1  1  0.0  0.22  0.7  1.0
  Br  Br0  1  0.0  0.0  0.5  1.0

data_Mn2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.43
_cell_length_c   6.64
_cell_angle_alpha   109.5
_cell_angle_beta   103.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InBr
_chemical_formula_sum   'Mn2 In1 Br1'
_cell_volume   85.65
_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  Mn0  1  0.19  0.19  0.19  1.0
  Mn  Mn1  1  0.5  0.91  0.5  1.0
  In  In2  1  0.3  0.51  0.51  1.0
  Br  Br3  1  0.5  0.5  0.5  1.0

Mn Mn In Br
Mn Mn In Br 0 2 o o o 0 3 o o o 1 3 + o o 1 2 + o o 2 3 o o o 