data_[Li3Er6Ta3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6103]
_cell_length_b [6.6103]
_cell_length_c [17.8516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiEr2TaS6]
_chemical_formula_sum '[Li3 Er6 Ta3 S18]'
_cell_volume [675.5377]
_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  0.1941  1.0
  Er  Er1  3  0.0000  0.0000  0.4822  1.0
  Er  Er2  3  0.0000  0.0000  0.9847  1.0
  Ta  Ta3  3  0.0000  0.0000  0.6761  1.0
  S  S4  9  0.0083  0.3755  0.4143  1.0
  S  S5  9  0.0420  0.6770  0.2521  1.0
]