data_[La2P2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8183]
_cell_length_b [9.0775]
_cell_length_c [5.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPS4]
_chemical_formula_sum '[La2 P2 S8]'
_cell_volume [307.6101]
_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  0.3576  0.2500  0.3190  1.0
  P  P1  2  0.1273  0.7500  0.1811  1.0
  S  S2  4  0.2950  0.5763  0.3682  1.0
  S  S3  2  0.1599  0.7500  0.8448  1.0
  S  S4  2  0.2231  0.2500  0.8141  1.0
]