data_[Sm4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [8.0017]
_cell_length_b [8.0017]
_cell_length_c [4.6649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [Sm2Pb3]
_chemical_formula_sum '[Sm4 Pb6]'
_cell_volume [298.6803]
_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  0.1447  0.3071  0.5000  1.0
  Pb  Pb1  4  0.1743  0.6040  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  1  0.5000  0.5000  0.5000  1.0
]