data_ZnP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.8
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Au
_chemical_formula_sum   'Zn1 P2 Au1'
_cell_volume   68.42
_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  Zn3  1  0.7  0.0  0.65  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.7  0.9  0.0  1.0
  Au  Au0  1  0.0  0.9  0.65  1.0

data_ZnP2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.8
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Au
_chemical_formula_sum   'Zn1 P2 Au1'
_cell_volume   68.42
_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  0.7  0.0  0.65  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.7  0.9  0.0  1.0
  Au  Au3  1  -0.0  0.9  0.65  1.0

Zn P P Au
Zn P P Au 0 3 + - o 1 2 - - o 