data_[Ce2Sm2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [6.5577]
_cell_length_b [5.9991]
_cell_length_c [7.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSmCuS4]
_chemical_formula_sum '[Ce2 Sm2 Cu2 S8]'
_cell_volume [295.1935]
_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
[
  Ce  Ce0  2  0.2442  0.7500  0.5606  1.0
  Sm  Sm1  2  0.2557  0.7500  0.0628  1.0
  Cu  Cu2  2  0.2442  0.2500  0.3164  1.0
  S  S3  4  0.0156  0.0128  0.7551  1.0
  S  S4  2  0.4350  0.2500  0.1144  1.0
  S  S5  2  0.4355  0.2500  0.6077  1.0
]