data_ReNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.66
_cell_angle_alpha   99.0
_cell_angle_beta   99.0
_cell_angle_gamma   39.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Bi
_chemical_formula_sum   'Re1 Ni2 Bi1'
_cell_volume   67.1
_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
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.92  0.0  0.0  1.0
  Ni  Ni2  1  0.34  0.0  0.58  1.0
  Bi  Bi0  1  0.63  0.0  0.79  1.0

data_ReNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.35
_cell_length_c   5.66
_cell_angle_alpha   99.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Bi
_chemical_formula_sum   'Re1 Ni2 Bi1'
_cell_volume   67.1
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.08  1.0  1.0
  Ni  Ni2  1  0.0  0.66  0.42  1.0
  Bi  Bi3  1  0.0  0.37  0.21  1.0

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