data_[Li2As2Pb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7710]
_cell_length_b [3.7705]
_cell_length_c [9.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiAsPbS3]
_chemical_formula_sum '[Li2 As2 Pb2 S6]'
_cell_volume [306.3148]
_cell_formula_units_Z [2]
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  0.1100  0.7500  0.5798  1
  As  As1  2  0.3570  0.2500  0.8744  1
  Pb  Pb2  2  0.1507  0.7500  0.2174  1
  S  S3  2  0.1732  0.7500  0.8463  1
  S  S4  2  0.1777  0.2500  0.4334  1
  S  S5  2  0.3953  0.2500  0.1192  1
]