data_[Na2Ca1Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  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 [6.3778]
_cell_length_b [8.3108]
_cell_length_c [6.6023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CaPbCl8]
_chemical_formula_sum '[Na2 Ca1 Pb1 Cl8]'
_cell_volume [349.0671]
_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  2  0.5000  0.2611  0.5000  1.0
  Ca  Ca1  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2191  0.2284  0.8482  1.0
  Cl  Cl4  2  0.2500  0.0000  0.3226  1.0
  Cl  Cl5  2  0.2679  0.5000  0.3231  1.0
]