data_[Li4Nd8Dy4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9858]
_cell_length_b [16.5271]
_cell_length_c [11.9131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2DyS5]
_chemical_formula_sum '[Li4 Nd8 Dy4 S20]'
_cell_volume [784.7501]
_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
[
  Li  Li0  4  0.0000  0.4860  0.4819  1.0
  Nd  Nd1  4  0.0000  0.1082  0.6853  1.0
  Nd  Nd2  4  0.0000  0.1242  0.2974  1.0
  Dy  Dy3  4  0.0000  0.1975  0.0020  1.0
  S  S4  4  0.0000  0.0468  0.0703  1.0
  S  S5  4  0.0000  0.2871  0.6601  1.0
  S  S6  4  0.0000  0.3078  0.3444  1.0
  S  S7  4  0.0000  0.3629  0.9985  1.0
  S  S8  4  0.0000  0.4993  0.2840  1.0
]