data_[Sm12P6Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1127]
_cell_length_b [4.1002]
_cell_length_c [8.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6P3PbS2]
_chemical_formula_sum '[Sm12 P6 Pb2 S4]'
_cell_volume [607.4990]
_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  4  0.0007  0.0000  0.2716  1.0
  Sm  Sm1  4  0.1658  0.5000  0.5898  1.0
  Sm  Sm2  4  0.1748  0.5000  0.0836  1.0
  P  P3  4  0.1659  0.0000  0.8312  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
  S  S6  4  0.1701  0.0000  0.3396  1.0
]