data_[Li2Mn1Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3657]
_cell_length_b [6.7770]
_cell_length_c [8.1427]
_cell_angle_alpha [66.7419]
_cell_angle_beta [87.7368]
_cell_angle_gamma [79.9867]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnPbCl8]
_chemical_formula_sum '[Li2 Mn1 Pb1 Cl8]'
_cell_volume [317.6564]
_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
[
  Li  Li0  2  0.4756  0.3261  0.6960  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1054  0.2322  0.7236  1.0
  Cl  Cl4  2  0.1437  0.1889  0.1324  1.0
  Cl  Cl5  2  0.3152  0.7704  0.0361  1.0
  Cl  Cl6  2  0.4036  0.7162  0.5677  1.0
]