data_Zn2ReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   140.86
_cell_angle_beta   127.79
_cell_angle_gamma   67.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReBi
_chemical_formula_sum   'Zn2 Re1 Bi1'
_cell_volume   71.27
_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  Zn2  1  0.0  0.31  0.36  1.0
  Zn  Zn3  1  0.0  0.0  0.04  1.0
  Re  Re1  1  0.0  0.0  0.7  1.0
  Bi  Bi0  1  0.0  0.31  0.04  1.0

data_Zn2ReBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.62
_cell_length_c   5.25
_cell_angle_alpha   116.11
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReBi
_chemical_formula_sum   'Zn2 Re1 Bi1'
_cell_volume   71.27
_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  0.04  0.04  1.0
  Zn  Zn1  1  0.69  0.05  0.05  1.0
  Re  Re2  1  0.0  0.7  0.7  1.0
  Bi  Bi3  1  0.69  0.73  0.73  1.0

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