data_[Sm4Mg8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.4987]
_cell_length_b [9.9610]
_cell_length_c [6.1892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmMg2Pb3]
_chemical_formula_sum '[Sm4 Mg8 Pb12]'
_cell_volume [770.5577]
_cell_formula_units_Z [4]
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  0.0000  0.2979  0.7500  1
  Mg  Mg1  8  0.1255  0.0000  0.0000  1
  Pb  Pb2  8  0.1674  0.4438  0.2500  1
  Pb  Pb3  4  0.0000  0.2074  0.2500  1
]