data_ZnRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.19
_cell_angle_alpha   97.06
_cell_angle_beta   97.06
_cell_angle_gamma   39.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Bi
_chemical_formula_sum   'Zn1 Re2 Bi1'
_cell_volume   76.84
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.58  0.0  0.86  1.0
  Re  Re2  1  0.83  0.0  0.28  1.0
  Bi  Bi0  1  0.2  0.0  0.57  1.0

data_ZnRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.83
_cell_length_c   5.19
_cell_angle_alpha   97.06
_cell_angle_beta   90.0
_cell_angle_gamma   109.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Bi
_chemical_formula_sum   'Zn1 Re2 Bi1'
_cell_volume   76.84
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.17  0.72  1.0
  Re  Re2  1  0.0  0.42  0.14  1.0
  Bi  Bi3  1  0.0  0.8  0.43  1.0

Zn Re Re Bi
Zn Re Re Bi 0 1 - o - 0 2 - o o 0 3 o o - 1 3 o o o 1 2 o o + 2 3 + o o 