data_[P4Pd16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5592]
_cell_length_b [5.1653]
_cell_length_c [4.3725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P2Pd8Au]
_chemical_formula_sum '[P4 Pd16 Au2]'
_cell_volume [408.5377]
_cell_formula_units_Z [2]
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
[
  P  P0  4  0.1859  0.0000  0.6716  1
  Pd  Pd1  8  0.0762  0.2542  0.5759  1
  Pd  Pd2  4  0.1502  0.0000  0.1352  1
  Pd  Pd3  4  0.2041  0.5000  0.4684  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]