data_[Na1Mg2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1287]
_cell_length_b [7.8301]
_cell_length_c [6.4001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaMg2PbCl8]
_chemical_formula_sum '[Na1 Mg2 Pb1 Cl8]'
_cell_volume [307.1030]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  2  0.5000  0.2615  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2487  0.2512  0.1817  1.0
  Cl  Cl4  2  0.2870  0.0000  0.6520  1.0
  Cl  Cl5  2  0.2898  0.5000  0.6585  1.0
]