data_[La4Cu4Se1S3O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6875]
_cell_length_b [5.6875]
_cell_length_c [8.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [La4Cu4SeS3O4]
_chemical_formula_sum '[La4 Cu4 Se1 S3 O4]'
_cell_volume [278.6740]
_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
[
  La  La0  2  0.0000  0.5000  0.1429  1.0
  La  La1  1  0.0000  0.0000  0.8507  1.0
  La  La2  1  0.5000  0.5000  0.8491  1.0
  Cu  Cu3  4  0.2397  0.2397  0.5059  1.0
  Se  Se4  1  0.5000  0.5000  0.3367  1.0
  S  S5  2  0.0000  0.5000  0.6602  1.0
  S  S6  1  0.0000  0.0000  0.3353  1.0
  O  O7  4  0.2500  0.2500  0.9963  1.0
]