data_[La2Ce2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5698]
_cell_length_b [6.0481]
_cell_length_c [8.0338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCeCuS4]
_chemical_formula_sum '[La2 Ce2 Cu2 S8]'
_cell_volume [304.4582]
_cell_formula_units_Z [2]
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  0.2591  0.7500  0.0644  1.0
  Ce  Ce1  2  0.2433  0.7500  0.5594  1.0
  Cu  Cu2  2  0.2411  0.2500  0.3149  1.0
  S  S3  4  0.0165  0.0127  0.7474  1.0
  S  S4  2  0.4334  0.2500  0.1208  1.0
  S  S5  2  0.4348  0.2500  0.6006  1.0
]