data_[Sr4La8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8566]
_cell_length_b [4.2676]
_cell_length_c [14.8936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr(LaS2)2]
_chemical_formula_sum '[Sr4 La8 S16]'
_cell_volume [753.6092]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.2366  0.2500  0.8427  1
  La  La1  4  0.0622  0.7500  0.6104  1
  La  La2  4  0.1045  0.7500  0.1020  1
  S  S3  4  0.0085  0.7500  0.2836  1
  S  S4  4  0.0639  0.7500  0.9124  1
  S  S5  4  0.1545  0.2500  0.4899  1
  S  S6  4  0.2266  0.2500  0.1946  1
]