data_[La4Mg4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8821]
_cell_length_b [4.7825]
_cell_length_c [9.4111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaMgPb]
_chemical_formula_sum '[La4 Mg4 Pb4]'
_cell_volume [354.7677]
_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
[
  La  La0  4  0.0183  0.2500  0.1846  1.0
  Mg  Mg1  4  0.1579  0.2500  0.5684  1.0
  Pb  Pb2  4  0.2272  0.7500  0.3898  1.0
]