data_[Sm12As2Pb6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3034]
_cell_length_b [4.2275]
_cell_length_c [8.9500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AsPb3Se2]
_chemical_formula_sum '[Sm12 As2 Pb6 Se4]'
_cell_volume [698.9221]
_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  0.0042  0.0000  0.2331  1.0
  Sm  Sm1  4  0.1606  0.5000  0.0917  1.0
  Sm  Sm2  4  0.1708  0.5000  0.5733  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1674  0.0000  0.8328  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1668  0.0000  0.3336  1.0
]