data_[Na3La3Y12S24]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1231]
_cell_length_b [8.1231]
_cell_length_c [20.4369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaLa(YS2)4]
_chemical_formula_sum '[Na3 La3 Y12 S24]'
_cell_volume [1167.8720]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3733  1.0
  La  La1  3  0.0000  0.0000  0.0034  1.0
  Y  Y2  9  0.1727  0.3454  0.8320  1.0
  Y  Y3  3  0.0000  0.0000  0.6261  1.0
  S  S4  9  0.0248  0.5124  0.7577  1.0
  S  S5  9  0.1736  0.3472  0.5773  1.0
  S  S6  3  0.0000  0.0000  0.2383  1.0
  S  S7  3  0.0000  0.0000  0.7579  1.0
]