# generated using pymatgen
data_Li3ThF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94621500
_cell_length_b   6.94621500
_cell_length_c   12.26452400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ThF7
_chemical_formula_sum   'Li12 Th4 F28'
_cell_volume   591.76209121
_cell_formula_units_Z   4
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  1  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.37502700  0.62497300  0.25000000  1
  Li  Li2  1  0.87502700  0.87502700  0.25000000  1
  Li  Li3  1  0.12497300  0.12497300  0.25000000  1
  Li  Li4  1  0.62497300  0.37502700  0.25000000  1
  Li  Li5  1  0.00000000  0.00000000  0.00000000  1
  Li  Li6  1  0.00000000  0.00000000  0.50000000  1
  Li  Li7  1  0.50000000  0.50000000  0.50000000  1
  Li  Li8  1  0.87502700  0.12497300  0.75000000  1
  Li  Li9  1  0.37502700  0.37502700  0.75000000  1
  Li  Li10  1  0.62497300  0.62497300  0.75000000  1
  Li  Li11  1  0.12497300  0.87502700  0.75000000  1
  Th  Th12  1  0.50000000  0.00000000  0.64079600  1
  Th  Th13  1  0.00000000  0.50000000  0.85920400  1
  Th  Th14  1  0.00000000  0.50000000  0.35920400  1
  Th  Th15  1  0.50000000  0.00000000  0.14079600  1
  F  F16  1  0.84003000  0.15997000  0.25000000  1
  F  F17  1  0.15997000  0.84003000  0.25000000  1
  F  F18  1  0.65997000  0.65997000  0.25000000  1
  F  F19  1  0.34003000  0.34003000  0.25000000  1
  F  F20  1  0.50000000  0.00000000  0.31570300  1
  F  F21  1  0.00000000  0.50000000  0.18429700  1
  F  F22  1  0.00000000  0.50000000  0.68429700  1
  F  F23  1  0.50000000  0.00000000  0.81570300  1
  F  F24  1  0.40748800  0.70492400  0.08702700  1
  F  F25  1  0.79507600  0.90748800  0.08702700  1
  F  F26  1  0.20492400  0.09251200  0.08702700  1
  F  F27  1  0.90748800  0.79507600  0.41297300  1
  F  F28  1  0.09251200  0.20492400  0.41297300  1
  F  F29  1  0.59251200  0.29507600  0.08702700  1
  F  F30  1  0.70492400  0.40748800  0.41297300  1
  F  F31  1  0.29507600  0.59251200  0.41297300  1
  F  F32  1  0.09251200  0.79507600  0.91297300  1
  F  F33  1  0.70492400  0.59251200  0.91297300  1
  F  F34  1  0.29507600  0.40748800  0.91297300  1
  F  F35  1  0.59251200  0.70492400  0.58702700  1
  F  F36  1  0.40748800  0.29507600  0.58702700  1
  F  F37  1  0.90748800  0.20492400  0.91297300  1
  F  F38  1  0.79507600  0.09251200  0.58702700  1
  F  F39  1  0.20492400  0.90748800  0.58702700  1
  F  F40  1  0.34003000  0.65997000  0.75000000  1
  F  F41  1  0.84003000  0.84003000  0.75000000  1
  F  F42  1  0.15997000  0.15997000  0.75000000  1
  F  F43  1  0.65997000  0.34003000  0.75000000  1
