data_[Na4La8In4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0860]
_cell_length_b [17.1364]
_cell_length_c [12.0342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaLa2InS5]
_chemical_formula_sum '[Na4 La8 In4 S20]'
_cell_volume [842.6321]
_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
[
  Na  Na0  4  0.0000  0.2105  0.0098  1.0
  La  La1  4  0.0000  0.1193  0.6841  1.0
  La  La2  4  0.0000  0.1411  0.3044  1.0
  In  In3  4  0.0000  0.4517  0.4572  1.0
  S  S4  4  0.0000  0.0463  0.0739  1.0
  S  S5  4  0.0000  0.2886  0.6754  1.0
  S  S6  4  0.0000  0.3209  0.3478  1.0
  S  S7  4  0.0000  0.3691  0.0017  1.0
  S  S8  4  0.0000  0.4916  0.7697  1.0
]