data_[Sm6Si1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.5066]
_cell_length_b [8.5066]
_cell_length_c [4.3464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sm6SiPb2]
_chemical_formula_sum '[Sm6 Si1 Pb2]'
_cell_volume [272.3812]
_cell_formula_units_Z [1]
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  3  0.0000  0.2455  0.0000  1.0
  Sm  Sm1  3  0.0000  0.6021  0.5000  1.0
  Si  Si2  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.3333  0.6667  0.0000  1.0
]