data_[Ba4Li4As8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4087]
_cell_length_b [4.7274]
_cell_length_c [10.0938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiAs2Pb]
_chemical_formula_sum '[Ba4 Li4 As8 Pb4]'
_cell_volume [577.6409]
_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
[
  Ba  Ba0  4  0.1831  0.0000  0.6844  1.0
  Li  Li1  4  0.1310  0.5000  0.9101  1.0
  As  As2  4  0.0333  0.5000  0.4005  1.0
  As  As3  4  0.1662  0.0000  0.0456  1.0
  Pb  Pb4  4  0.0537  0.0000  0.2222  1.0
]