data_[Sm4Cu2S8]
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/m]
_cell_length_a [6.7466]
_cell_length_b [5.6452]
_cell_length_c [7.9283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2CuS4]
_chemical_formula_sum '[Sm4 Cu2 S8]'
_cell_volume [288.6744]
_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
[
  Sm  Sm0  2  0.2317  0.7500  0.4333  1.0
  Sm  Sm1  2  0.2385  0.7500  0.9339  1.0
  Cu  Cu2  2  0.2482  0.2500  0.1868  1.0
  S  S3  4  0.4857  0.0122  0.7434  1.0
  S  S4  2  0.0698  0.2500  0.3907  1.0
  S  S5  2  0.0722  0.2500  0.8944  1.0
]