data_[B2P4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2321]
_cell_length_b [3.2335]
_cell_length_c [6.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BP2Au]
_chemical_formula_sum '[B2 P4 Au2]'
_cell_volume [134.6610]
_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
[
  B  B0  2  0.1950  0.0000  0.2852  1
  P  P1  2  0.3405  0.5000  0.3310  1
  P  P2  2  0.4054  0.5000  0.0280  1
  Au  Au3  2  0.2109  0.0000  0.6738  1
]