data_[Ba20P8Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7031]
_cell_length_b [19.3824]
_cell_length_c [13.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5P2AuO]
_chemical_formula_sum '[Ba20 P8 Au4 O4]'
_cell_volume [1204.9372]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.0066  0.4840  1.0
  Ba  Ba1  4  0.0000  0.2766  0.7123  1.0
  Ba  Ba2  4  0.0000  0.3356  0.0138  1.0
  Ba  Ba3  4  0.0000  0.3569  0.3696  1.0
  Ba  Ba4  4  0.0000  0.4693  0.7398  1.0
  P  P5  4  0.0000  0.1059  0.6903  1.0
  P  P6  4  0.0000  0.1493  0.3399  1.0
  Au  Au7  4  0.0000  0.1624  0.0597  1.0
  O  O8  4  0.0000  0.4844  0.4146  1.0
]