data_Re2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.76
_cell_angle_alpha   101.63
_cell_angle_beta   101.63
_cell_angle_gamma   38.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeBi
_chemical_formula_sum   'Re2 Ge1 Bi1'
_cell_volume   77.77
_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  Re2  1  0.76  0.0  0.2  1.0
  Re  Re3  1  0.4  0.0  0.5  1.0
  Ge  Ge1  1  0.28  0.0  0.78  1.0
  Bi  Bi0  1  0.87  0.0  0.96  1.0

data_Re2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.7
_cell_length_c   5.76
_cell_angle_alpha   101.63
_cell_angle_beta   90.0
_cell_angle_gamma   109.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeBi
_chemical_formula_sum   'Re2 Ge1 Bi1'
_cell_volume   77.77
_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  0.24  0.8  1.0
  Re  Re1  1  0.0  0.6  0.5  1.0
  Ge  Ge2  1  0.0  0.72  0.22  1.0
  Bi  Bi3  1  0.0  0.13  0.04  1.0

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