data_GeP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   131.8
_cell_angle_beta   131.8
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Au
_chemical_formula_sum   'Ge1 P2 Au1'
_cell_volume   69.4
_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  Ge1  1  0.0  0.0  0.11  1.0
  P  P2  1  0.0  0.05  0.05  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.0  0.05  1.0

data_GeP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.03
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Au
_chemical_formula_sum   'Ge1 P2 Au1'
_cell_volume   69.4
_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  0.89  0.0  0.89  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.05  0.0  1.0
  Au  Au3  1  0.95  0.0  0.0  1.0

Ge P P Au