data_[Na4Sm2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [14.4817]
_cell_length_b [3.8283]
_cell_length_c [7.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sm(CuS2)2]
_chemical_formula_sum '[Na4 Sm2 Cu4 S8]'
_cell_volume [374.0618]
_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
[
  Na  Na0  4  0.1234  0.0000  0.5700  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1808  0.5000  0.9874  1.0
  S  S3  4  0.0111  0.5000  0.7431  1.0
  S  S4  4  0.2172  0.0000  0.1888  1.0
]