data_MnRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   127.24
_cell_angle_beta   127.24
_cell_angle_gamma   77.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Bi
_chemical_formula_sum   'Mn1 Re2 Bi1'
_cell_volume   64.7
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.1  0.0  0.84  1.0
  Re  Re3  1  0.0  0.0  0.67  1.0
  Bi  Bi0  1  0.0  0.1  0.84  1.0

data_MnRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.72
_cell_angle_alpha   116.38
_cell_angle_beta   116.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Bi
_chemical_formula_sum   'Mn1 Re2 Bi1'
_cell_volume   64.7
_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  0.0  0.0  1.0
  Re  Re1  1  0.16  0.0  0.26  1.0
  Re  Re2  1  0.33  0.0  0.33  1.0
  Bi  Bi3  1  0.26  0.1  0.26  1.0

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