data_[Na6Pr2Sm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1162]
_cell_length_b [12.3236]
_cell_length_c [7.0987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pr(SmS3)2]
_chemical_formula_sum '[Na6 Pr2 Sm4 S12]'
_cell_volume [586.7346]
_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  0.0000  0.1668  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  4  0.0000  0.3333  0.0000  1.0
  S  S4  8  0.2464  0.1691  0.2320  1.0
  S  S5  4  0.2394  0.5000  0.2327  1.0
]