# generated using pymatgen
data_ThN3F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07069500
_cell_length_b   7.89892100
_cell_length_c   14.87719500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThN3F7
_chemical_formula_sum   'Th4 N12 F28'
_cell_volume   830.90415329
_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
  Th  Th0  1  0.25000000  0.44391700  0.56202300  1.0
  Th  Th1  1  0.25000000  0.05608300  0.06202300  1.0
  Th  Th2  1  0.75000000  0.55608300  0.43797700  1.0
  Th  Th3  1  0.75000000  0.94391700  0.93797700  1.0
  N  N4  1  0.25000000  0.96842300  0.75519900  1.0
  N  N5  1  0.25000000  0.53157700  0.25519900  1.0
  N  N6  1  0.75000000  0.03157700  0.24480100  1.0
  N  N7  1  0.75000000  0.46842300  0.74480100  1.0
  N  N8  1  0.02151500  0.58602900  0.90061300  1.0
  N  N9  1  0.47848500  0.91397100  0.40061300  1.0
  N  N10  1  0.52151500  0.41397100  0.09938700  1.0
  N  N11  1  0.97848500  0.08602900  0.59938700  1.0
  N  N12  1  0.97848500  0.41397100  0.09938700  1.0
  N  N13  1  0.52151500  0.08602900  0.59938700  1.0
  N  N14  1  0.47848500  0.58602900  0.90061300  1.0
  N  N15  1  0.02151500  0.91397100  0.40061300  1.0
  F  F16  1  0.25000000  0.86704800  0.41353200  1.0
  F  F17  1  0.25000000  0.63295200  0.91353200  1.0
  F  F18  1  0.75000000  0.13295200  0.58646800  1.0
  F  F19  1  0.75000000  0.36704800  0.08646800  1.0
  F  F20  1  0.25000000  0.68952800  0.22560700  1.0
  F  F21  1  0.25000000  0.81047200  0.72560700  1.0
  F  F22  1  0.75000000  0.31047200  0.77439300  1.0
  F  F23  1  0.75000000  0.18952800  0.27439300  1.0
  F  F24  1  0.25000000  0.36347300  0.07726800  1.0
  F  F25  1  0.25000000  0.13652700  0.57726800  1.0
  F  F26  1  0.75000000  0.63652700  0.92273200  1.0
  F  F27  1  0.75000000  0.86347300  0.42273200  1.0
  F  F28  1  0.06062000  0.42569600  0.67310000  1.0
  F  F29  1  0.43938000  0.07430400  0.17310000  1.0
  F  F30  1  0.56062000  0.57430400  0.32690000  1.0
  F  F31  1  0.93938000  0.92569600  0.82690000  1.0
  F  F32  1  0.93938000  0.57430400  0.32690000  1.0
  F  F33  1  0.56062000  0.92569600  0.82690000  1.0
  F  F34  1  0.43938000  0.42569600  0.67310000  1.0
  F  F35  1  0.06062000  0.07430400  0.17310000  1.0
  F  F36  1  0.98714600  0.34687000  0.47169900  1.0
  F  F37  1  0.51285400  0.15313000  0.97169900  1.0
  F  F38  1  0.48714600  0.65313000  0.52830100  1.0
  F  F39  1  0.01285400  0.84687000  0.02830100  1.0
  F  F40  1  0.01285400  0.65313000  0.52830100  1.0
  F  F41  1  0.48714600  0.84687000  0.02830100  1.0
  F  F42  1  0.51285400  0.34687000  0.47169900  1.0
  F  F43  1  0.98714600  0.15313000  0.97169900  1.0