data_Mn2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.72
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReBi
_chemical_formula_sum   'Mn2 Re1 Bi1'
_cell_volume   67.62
_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  0.51  0.86  0.86  1.0
  Mn  Mn2  1  0.51  0.86  0.19  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.02  1.0

data_Mn2ReBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.72
_cell_length_b   3.01
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2ReBi
_chemical_formula_sum   'Mn2 Re1 Bi1'
_cell_volume   67.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.86  0.5  0.19  1.0
  Mn  Mn1  1  0.86  0.5  0.86  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.02  1.0

Mn Mn Re Bi
Mn Mn Re Bi 0 3 o + + 0 3 + + + 0 2 o + + 0 2 + + + 0 1 o o + 1 3 o + o 1 3 + + o 1 2 o + o 1 2 + + o 2 3 o o o 