data_[Li2Ho4Th6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6782]
_cell_length_b [4.1889]
_cell_length_c [9.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHo2(ThTe2)3]
_chemical_formula_sum '[Li2 Ho4 Th6 Te12]'
_cell_volume [711.4080]
_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  2  0.0000  0.5000  0.0000  1
  Ho  Ho1  4  0.1664  0.0000  0.3340  1
  Th  Th2  4  0.1712  0.0000  0.8401  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0013  0.0000  0.2335  1
  Te  Te5  4  0.1555  0.5000  0.0881  1
  Te  Te6  4  0.1701  0.5000  0.5770  1
]