data_Mn2CrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.94
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrBr
_chemical_formula_sum   'Mn2 Cr1 Br1'
_cell_volume   57.44
_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  0.46  0.47  0.26  1.0
  Mn  Mn3  1  0.46  0.47  0.44  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.47  0.35  1.0

data_Mn2CrBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.94
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrBr
_chemical_formula_sum   'Mn2 Cr1 Br1'
_cell_volume   57.44
_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  0.46  0.47  0.26  1.0
  Mn  Mn1  1  0.46  0.47  0.44  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.47  0.35  1.0

Mn Mn Cr Br
Mn Mn Cr Br 0 1 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 0 3 + o o 0 3 o o o 1 3 + o o 1 3 o o o 2 2 + o o 2 2 o + o 2 3 o - o 2 3 o o o 