data_[P1H2Au1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8542]
_cell_length_b [6.1502]
_cell_length_c [6.5672]
_cell_angle_alpha [114.5933]
_cell_angle_beta [116.0531]
_cell_angle_gamma [90.7794]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PH2AuSe4]
_chemical_formula_sum '[P1 H2 Au1 Se4]'
_cell_volume [187.4848]
_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
[
  P  P0  1  0.2442  0.2241  0.5382  1.0
  H  H1  1  0.1602  0.5059  0.9604  1.0
  H  H2  1  0.8092  0.0046  0.5575  1.0
  Au  Au3  1  0.5126  0.9559  0.0114  1.0
  Se  Se4  1  0.1110  0.5692  0.7497  1.0
  Se  Se5  1  0.2602  0.2716  0.2368  1.0
  Se  Se6  1  0.6208  0.1959  0.8176  1.0
  Se  Se7  1  0.8948  0.8857  0.3544  1.0
]