data_[K8La4Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4448]
_cell_length_b [8.6748]
_cell_length_c [12.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2LaSbS4]
_chemical_formula_sum '[K8 La4 Sb4 S16]'
_cell_volume [885.8450]
_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
[
  K  K0  4  0.0000  0.0000  0.0000  1.0
  K  K1  4  0.2500  0.2500  0.2500  1.0
  La  La2  4  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0318  0.7395  1.0
  S  S5  8  0.2271  0.2500  0.5176  1.0
]