data_Mn2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReBr
_chemical_formula_sum   'Mn2 Re1 Br1'
_cell_volume   61.94
_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  Mn1  1  0.37  0.92  0.48  1.0
  Mn  Mn2  1  0.37  0.08  0.48  1.0
  Re  Re3  1  0.73  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mn2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   108.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReBr
_chemical_formula_sum   'Mn2 Re1 Br1'
_cell_volume   61.94
_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  0.48  0.37  0.08  1.0
  Mn  Mn1  1  0.48  0.37  0.92  1.0
  Re  Re2  1  0.0  0.73  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Mn Mn Re Br