data_[Sm4Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [6.4541]
_cell_length_b [7.1272]
_cell_length_c [6.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmCuS2]
_chemical_formula_sum '[Sm4 Cu4 S8]'
_cell_volume [311.7620]
_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
[
  Sm  Sm0  4  0.1919  0.5493  0.3003  1.0
  Cu  Cu1  4  0.4228  0.1623  0.4499  1.0
  S  S2  4  0.0806  0.2262  0.4984  1.0
  S  S3  4  0.4094  0.6139  0.7211  1.0
]