data_[Sm12As2Pb4Se6]
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 [18.7716]
_cell_length_b [4.2956]
_cell_length_c [8.6519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AsPb2Se3]
_chemical_formula_sum '[Sm12 As2 Pb4 Se6]'
_cell_volume [679.3240]
_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  0.0013  0.0000  0.7602  1.0
  Sm  Sm1  4  0.1623  0.5000  0.5903  1.0
  Sm  Sm2  4  0.1626  0.5000  0.0728  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1676  0.0000  0.3334  1.0
  Se  Se5  4  0.1663  0.0000  0.8345  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]