data_[La2As2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9203]
_cell_length_b [9.1882]
_cell_length_c [6.0512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaAsS4]
_chemical_formula_sum '[La2 As2 S8]'
_cell_volume [323.1879]
_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
[
  La  La0  2  0.3637  0.2500  0.3195  1.0
  As  As1  2  0.1191  0.7500  0.1763  1.0
  S  S2  4  0.3001  0.5695  0.3809  1.0
  S  S3  2  0.1521  0.7500  0.8248  1.0
  S  S4  2  0.2487  0.2500  0.8211  1.0
]