data_[Li6Th2O7]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8819]
_cell_length_b [6.0090]
_cell_length_c [6.0485]
_cell_angle_alpha [87.5442]
_cell_angle_beta [68.1030]
_cell_angle_gamma [83.7352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li6Th2O7]
_chemical_formula_sum '[Li6 Th2 O7]'
_cell_volume [197.1751]
_cell_formula_units_Z [1]
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  0.0524  0.3653  0.8524  1
  Li  Li1  2  0.2793  0.0367  0.0680  1
  Li  Li2  2  0.3172  0.3454  0.2993  1
  Th  Th3  2  0.2398  0.8298  0.5674  1
  O  O4  2  0.0373  0.8487  0.3015  1
  O  O5  2  0.0826  0.3311  0.1559  1
  O  O6  2  0.4956  0.9467  0.7489  1
  O  O7  1  0.5000  0.5000  0.5000  1
]