data_GeBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.45
_cell_angle_alpha   109.76
_cell_angle_beta   109.76
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Au
_chemical_formula_sum   'Ge1 Bi2 Au1'
_cell_volume   100.91
_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
  Ge  Ge3  1  0.27  0.0  0.5  1.0
  Bi  Bi1  1  0.27  0.0  0.31  1.0
  Bi  Bi2  1  0.25  0.0  0.64  1.0
  Au  Au0  1  0.38  0.0  0.2  1.0

data_GeBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.45
_cell_length_c   5.95
_cell_angle_alpha   109.76
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Au
_chemical_formula_sum   'Ge1 Bi2 Au1'
_cell_volume   100.91
_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
  Ge  Ge0  1  0.0  0.5  0.27  1.0
  Bi  Bi1  1  0.0  0.31  0.27  1.0
  Bi  Bi2  1  0.0  0.64  0.25  1.0
  Au  Au3  1  0.0  0.2  0.38  1.0

Ge Bi Bi Au