data_MnCr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.32
_cell_angle_alpha   95.25
_cell_angle_beta   95.25
_cell_angle_gamma   36.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Br
_chemical_formula_sum   'Mn1 Cr2 Br1'
_cell_volume   53.97
_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  1.0  0.0  0.88  1.0
  Cr  Cr1  1  0.14  0.0  0.19  1.0
  Cr  Cr2  1  0.4  0.0  0.13  1.0
  Br  Br0  1  0.89  0.0  0.24  1.0

data_MnCr2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.32
_cell_length_c   4.58
_cell_angle_alpha   95.25
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Br
_chemical_formula_sum   'Mn1 Cr2 Br1'
_cell_volume   53.97
_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  0.0  0.88  1.0  1.0
  Cr  Cr1  1  0.0  0.13  0.4  1.0
  Cr  Cr2  1  0.0  0.19  0.14  1.0
  Br  Br3  1  0.0  0.24  0.89  1.0

Mn Cr Cr Br