data_[Li3Tm9In12Te24]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7975]
_cell_length_b [8.7975]
_cell_length_c [22.9279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTm3(InTe2)4]
_chemical_formula_sum '[Li3 Tm9 In12 Te24]'
_cell_volume [1536.7909]
_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  0.0000  1.0
  Tm  Tm1  9  0.0000  0.5000  0.0000  1.0
  In  In2  9  0.0000  0.5000  0.5000  1.0
  In  In3  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te4  18  0.0082  0.5041  0.2568  1.0
  Te  Te5  6  0.0000  0.0000  0.2585  1.0
]