data_ReGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.87
_cell_angle_alpha   97.37
_cell_angle_beta   97.37
_cell_angle_gamma   43.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Bi
_chemical_formula_sum   'Re1 Ge2 Bi1'
_cell_volume   82.32
_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
  Ge  Ge1  1  0.64  0.0  0.86  1.0
  Ge  Ge2  1  0.95  0.0  0.96  1.0
  Bi  Bi0  1  0.8  0.0  0.91  1.0

data_ReGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.53
_cell_length_c   5.87
_cell_angle_alpha   97.37
_cell_angle_beta   90.0
_cell_angle_gamma   111.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGe2Bi
_chemical_formula_sum   'Re1 Ge2 Bi1'
_cell_volume   82.32
_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
  Ge  Ge1  1  0.0  0.05  0.04  1.0
  Ge  Ge2  1  0.0  0.36  0.14  1.0
  Bi  Bi3  1  0.0  0.2  0.09  1.0

Re Ge Ge Bi