data_[Li2Th2Zn22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2648]
_cell_length_b [12.5841]
_cell_length_c [6.8311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiThZn11]
_chemical_formula_sum '[Li2 Th2 Zn22]'
_cell_volume [418.6224]
_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  0.5000  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  8  0.1081  0.3906  0.2232  1
  Zn  Zn3  8  0.1893  0.1760  0.3568  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]