data_[La8Ga4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9599]
_cell_length_b [17.7275]
_cell_length_c [11.4432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2GaAgS5]
_chemical_formula_sum '[La8 Ga4 Ag4 S20]'
_cell_volume [803.2991]
_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
[
  La  La0  4  0.0000  0.1217  0.6833  1
  La  La1  4  0.0000  0.1268  0.2993  1
  Ga  Ga2  4  0.0000  0.4338  0.4518  1
  Ag  Ag3  4  0.0000  0.2284  0.0248  1
  S  S4  4  0.0000  0.0401  0.0571  1
  S  S5  4  0.0000  0.2913  0.6775  1
  S  S6  4  0.0000  0.3191  0.3590  1
  S  S7  4  0.0000  0.3691  0.9959  1
  S  S8  4  0.0000  0.4976  0.2752  1
]