data_[Li4Pr8Dy4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  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 [4.0037]
_cell_length_b [16.5806]
_cell_length_c [11.9486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2DyS5]
_chemical_formula_sum '[Li4 Pr8 Dy4 S20]'
_cell_volume [793.1861]
_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  0.4857  0.4819  1.0
  Pr  Pr1  4  0.0000  0.1083  0.6854  1.0
  Pr  Pr2  4  0.0000  0.1244  0.2978  1.0
  Dy  Dy3  4  0.0000  0.1976  0.0022  1.0
  S  S4  4  0.0000  0.0470  0.0693  1.0
  S  S5  4  0.0000  0.2872  0.6592  1.0
  S  S6  4  0.0000  0.3075  0.3456  1.0
  S  S7  4  0.0000  0.3625  0.9985  1.0
  S  S8  4  0.0000  0.4993  0.2842  1.0
]