data_[Li1As1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [3.2801]
_cell_length_b [5.2262]
_cell_length_c [6.0545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiAsPb2]
_chemical_formula_sum '[Li1 As1 Pb2]'
_cell_volume [103.7696]
_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  1  0.0000  0.5000  0.0000  1
  As  As1  1  0.5000  0.5000  0.5000  1
  Pb  Pb2  2  0.3224  0.0000  0.2465  1
]