data_[La8S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.7601]
_cell_length_b [5.7601]
_cell_length_c [16.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La4S7]
_chemical_formula_sum '[La8 S14]'
_cell_volume [538.9535]
_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  8  0.2452  0.2452  0.1363  1.0
  S  S1  8  0.2418  0.2418  0.3193  1.0
  S  S2  4  0.0000  0.5000  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]