data_Zn2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   133.94
_cell_angle_beta   133.94
_cell_angle_gamma   67.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PAu
_chemical_formula_sum   'Zn2 P1 Au1'
_cell_volume   64.67
_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
  Zn  Zn2  1  0.97  0.0  0.09  1.0
  Zn  Zn3  1  0.0  0.0  0.18  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.97  0.09  1.0

data_Zn2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.02
_cell_angle_alpha   113.03
_cell_angle_beta   113.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PAu
_chemical_formula_sum   'Zn2 P1 Au1'
_cell_volume   64.67
_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
  Zn  Zn0  1  0.82  0.0  0.82  1.0
  Zn  Zn1  1  0.91  0.0  0.87  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.87  0.97  0.87  1.0

Zn Zn P Au