data_FeGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   3.76
_cell_angle_alpha   107.87
_cell_angle_beta   107.87
_cell_angle_gamma   124.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2Bi
_chemical_formula_sum   'Fe1 Ge2 Bi1'
_cell_volume   82.54
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.15  0.63  0.42  1.0
  Ge  Ge3  1  0.15  0.37  0.42  1.0
  Bi  Bi0  1  0.77  0.0  0.0  1.0

data_FeGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.18
_cell_length_c   5.94
_cell_angle_alpha   110.08
_cell_angle_beta   107.87
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2Bi
_chemical_formula_sum   'Fe1 Ge2 Bi1'
_cell_volume   82.54
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.04  0.63  0.78  1.0
  Ge  Ge2  1  0.79  0.37  0.53  1.0
  Bi  Bi3  1  0.0  0.0  0.77  1.0

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