data_[La4Au4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [5.8173]
_cell_length_b [5.8173]
_cell_length_c [9.5005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [LaAuSeO]
_chemical_formula_sum '[La4 Au4 Se4 O4]'
_cell_volume [321.5053]
_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  2  0.0000  0.0000  0.8717  1
  La  La1  2  0.0000  0.5000  0.1286  1
  Au  Au2  4  0.1805  0.6805  0.4893  1
  Se  Se3  2  0.0000  0.0000  0.3020  1
  Se  Se4  2  0.0000  0.5000  0.7141  1
  O  O5  4  0.2483  0.7483  0.0024  1
]