data_[Cs4P4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3192]
_cell_length_b [7.7073]
_cell_length_c [8.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPAuSe3]
_chemical_formula_sum '[Cs4 P4 Au4 Se12]'
_cell_volume [802.3890]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.2033  0.5000  0.7412  1.0
  P  P1  4  0.0264  0.0000  0.6466  1.0
  Au  Au2  4  0.0000  0.2333  0.0000  1.0
  Se  Se3  8  0.0578  0.2424  0.3116  1.0
  Se  Se4  4  0.1981  0.0000  0.7597  1.0
]