data_[Ba4P1Au2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0507]
_cell_length_b [4.6727]
_cell_length_c [8.3596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4PAu2Cl]
_chemical_formula_sum '[Ba4 P1 Au2 Cl1]'
_cell_volume [298.2631]
_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  2  0.2633  0.5000  0.2431  1
  Ba  Ba1  2  0.2690  0.0000  0.7612  1
  P  P2  1  0.5000  0.5000  0.0000  1
  Au  Au3  1  0.0000  0.5000  0.5000  1
  Au  Au4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.0000  0.0000  0.0000  1
]