data_[La8Ga4Au4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1866]
_cell_length_b [19.0695]
_cell_length_c [11.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2GaAuSe5]
_chemical_formula_sum '[La8 Ga4 Au4 Se20]'
_cell_volume [945.5208]
_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
[
  La  La0  4  0.0000  0.1089  0.6787  1.0
  La  La1  4  0.0000  0.1172  0.2929  1.0
  Ga  Ga2  4  0.0000  0.4133  0.4625  1.0
  Au  Au3  4  0.0000  0.2555  0.0955  1.0
  Se  Se4  4  0.0000  0.0396  0.0535  1.0
  Se  Se5  4  0.0000  0.3163  0.3289  1.0
  Se  Se6  4  0.0000  0.3179  0.6418  1.0
  Se  Se7  4  0.0000  0.3696  0.9880  1.0
  Se  Se8  4  0.0000  0.4965  0.2820  1.0
]