data_ScRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   145.0
_cell_angle_beta   131.66
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Bi
_chemical_formula_sum   'Sc1 Re2 Bi1'
_cell_volume   73.74
_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
  Sc  Sc3  1  0.0  0.0  0.88  1.0
  Re  Re1  1  0.0  0.0  0.52  1.0
  Re  Re2  1  0.0  0.29  0.56  1.0
  Bi  Bi0  1  0.68  0.0  0.27  1.0

data_ScRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.57
_cell_length_c   5.58
_cell_angle_alpha   114.17
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRe2Bi
_chemical_formula_sum   'Sc1 Re2 Bi1'
_cell_volume   73.74
_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
  Sc  Sc0  1  0.0  0.88  0.88  1.0
  Re  Re1  1  0.0  0.52  0.52  1.0
  Re  Re2  1  0.71  0.27  0.27  1.0
  Bi  Bi3  1  0.0  0.27  0.59  1.0

Sc Re Re Bi