data_[K4Sm2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [14.6865]
_cell_length_b [3.9296]
_cell_length_c [7.6761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sm(CuS2)2]
_chemical_formula_sum '[K4 Sm2 Cu4 S8]'
_cell_volume [417.0735]
_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
[
  K  K0  4  0.1305  0.0000  0.5570  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1807  0.5000  0.9879  1.0
  S  S3  4  0.0245  0.5000  0.7636  1.0
  S  S4  4  0.2055  0.0000  0.1702  1.0
]