data_[Sb4P2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9900]
_cell_length_b [3.8481]
_cell_length_c [4.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sb2PAu]
_chemical_formula_sum '[Sb4 P2 Au2]'
_cell_volume [187.7216]
_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
[
  Sb  Sb0  2  0.0081  0.0000  0.0136  1.0
  Sb  Sb1  2  0.2380  0.5000  0.6819  1.0
  P  P2  2  0.2638  0.0000  0.3094  1.0
  Au  Au3  2  0.4901  0.0000  0.4951  1.0
]