data_ReGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.97
_cell_angle_alpha   100.13
_cell_angle_beta   100.13
_cell_angle_gamma   40.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGeBi2
_chemical_formula_sum   'Re1 Ge1 Bi2'
_cell_volume   93.75
_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  0.12  0.0  0.93  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.88  0.0  0.62  1.0
  Bi  Bi1  1  0.35  0.0  0.24  1.0

data_ReGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.98
_cell_length_c   5.97
_cell_angle_alpha   100.13
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGeBi2
_chemical_formula_sum   'Re1 Ge1 Bi2'
_cell_volume   93.75
_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  0.88  0.07  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.12  0.38  1.0
  Bi  Bi3  1  0.0  0.65  0.76  1.0

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