data_[Li3Tm6Ta3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5873]
_cell_length_b [6.5873]
_cell_length_c [17.8512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiTm2TaS6]
_chemical_formula_sum '[Li3 Tm6 Ta3 S18]'
_cell_volume [670.8377]
_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  0.1945  1.0
  Tm  Tm1  3  0.0000  0.0000  0.4833  1.0
  Tm  Tm2  3  0.0000  0.0000  0.9859  1.0
  Ta  Ta3  3  0.0000  0.0000  0.6763  1.0
  S  S4  9  0.0079  0.3728  0.4143  1.0
  S  S5  9  0.0399  0.6744  0.2522  1.0
]