data_Fe2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.98
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeBi
_chemical_formula_sum   'Fe2 Ge1 Bi1'
_cell_volume   73.33
_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  0.81  0.99  0.98  1.0
  Fe  Fe2  1  0.23  0.99  0.96  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.02  0.0  0.97  1.0

data_Fe2GeBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   3.98
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe2GeBi
_chemical_formula_sum   'Fe2 Ge1 Bi1'
_cell_volume   73.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.23  0.0  0.96  1.0
  Fe  Fe1  1  0.81  0.0  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.02  0.0  0.97  1.0

Fe Fe Ge Bi