data_[Li4Dy4Zr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7243]
_cell_length_b [11.5616]
_cell_length_c [6.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Dy2ZrS6]
_chemical_formula_sum '[Li4 Dy4 Zr2 S12]'
_cell_volume [480.6459]
_cell_formula_units_Z [2]
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  0.1579  0.0000  1.0
  Dy  Dy1  4  0.0000  0.3342  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2322  0.1613  0.7413  1.0
  S  S4  4  0.2377  0.0000  0.2580  1.0
]