data_GaP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   124.92
_cell_angle_beta   124.92
_cell_angle_gamma   81.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Au
_chemical_formula_sum   'Ga1 P2 Au1'
_cell_volume   67.44
_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
  Ga  Ga1  1  0.0  0.0  0.56  1.0
  P  P2  1  0.0  0.18  0.78  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.18  0.0  0.78  1.0

data_GaP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.71
_cell_angle_alpha   117.54
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP2Au
_chemical_formula_sum   'Ga1 P2 Au1'
_cell_volume   67.44
_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
  Ga  Ga0  1  0.56  0.56  0.56  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.6  0.78  0.6  1.0
  Au  Au3  1  0.78  0.6  0.6  1.0

Ga P P Au