data_[Na4La8Ga4S20]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9661]
_cell_length_b [17.5189]
_cell_length_c [11.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaLa2GaS5]
_chemical_formula_sum '[Na4 La8 Ga4 S20]'
_cell_volume [818.9995]
_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  0.2068  0.0171  1.0
  La  La1  4  0.0000  0.1190  0.6833  1.0
  La  La2  4  0.0000  0.1340  0.3120  1.0
  Ga  Ga3  4  0.0000  0.4419  0.4441  1.0
  S  S4  4  0.0000  0.0405  0.0508  1.0
  S  S5  4  0.0000  0.2899  0.6857  1.0
  S  S6  4  0.0000  0.3248  0.3533  1.0
  S  S7  4  0.0000  0.3617  0.0039  1.0
  S  S8  4  0.0000  0.4945  0.7738  1.0
]