data_[La4Cr4S8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5288]
_cell_length_b [3.7574]
_cell_length_c [11.2990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaCrS2O]
_chemical_formula_sum '[La4 Cr4 S8 O4]'
_cell_volume [362.0860]
_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  0.0462  0.2500  0.1478  1.0
  Cr  Cr1  4  0.1697  0.2500  0.4715  1.0
  S  S2  4  0.0972  0.7500  0.6018  1.0
  S  S3  4  0.2425  0.7500  0.3309  1.0
  O  O4  4  0.1127  0.7500  0.0364  1.0
]