data_[Li3Dy6Ta3S18]
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
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6511]
_cell_length_b [6.6511]
_cell_length_c [17.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiDy2TaS6]
_chemical_formula_sum '[Li3 Dy6 Ta3 S18]'
_cell_volume [683.1536]
_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
[
  Li  Li0  3  0.0000  0.0000  0.1934  1.0
  Dy  Dy1  3  0.0000  0.0000  0.4810  1.0
  Dy  Dy2  3  0.0000  0.0000  0.9834  1.0
  Ta  Ta3  3  0.0000  0.0000  0.6768  1.0
  S  S4  9  0.0087  0.3805  0.4154  1.0
  S  S5  9  0.0462  0.6824  0.2531  1.0
]