data_[La4As1Pb1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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/m]
_cell_length_a [7.4876]
_cell_length_b [4.3659]
_cell_length_c [7.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4AsPbS2]
_chemical_formula_sum '[La4 As1 Pb1 S2]'
_cell_volume [233.8053]
_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
[
  La  La0  2  0.2575  0.5000  0.2442  1.0
  La  La1  2  0.2659  0.0000  0.7650  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  1  0.0000  0.5000  0.5000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.5000  0.5000  0.0000  1.0
]