data_[Ba8Ag1P1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7287]
_cell_length_b [9.6581]
_cell_length_c [8.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8AgPAu2]
_chemical_formula_sum '[Ba8 Ag1 P1 Au2]'
_cell_volume [597.6777]
_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
[
  Ba  Ba0  4  0.2283  0.2382  0.8263  1.0
  Ba  Ba1  2  0.2592  0.0000  0.3129  1.0
  Ba  Ba2  2  0.2727  0.5000  0.3348  1.0
  Ag  Ag3  1  0.0000  0.5000  0.0000  1.0
  P  P4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.5000  0.2433  0.5000  1.0
]