data_[La8Y4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [4.0478]
_cell_length_b [16.7916]
_cell_length_c [12.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2YAgS5]
_chemical_formula_sum '[La8 Y4 Ag4 S20]'
_cell_volume [831.2687]
_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  0.3743  0.8043  1
  La  La1  4  0.0000  0.3885  0.1840  1
  Y  Y2  4  0.0000  0.3056  0.5047  1
  Ag  Ag3  4  0.0000  0.0304  0.9684  1
  S  S4  4  0.0000  0.0012  0.2733  1
  S  S5  4  0.0000  0.1430  0.4998  1
  S  S6  4  0.0000  0.1942  0.8479  1
  S  S7  4  0.0000  0.2113  0.1607  1
  S  S8  4  0.0000  0.4531  0.5808  1
]