data_[Th2N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6020]
_cell_length_b [3.6026]
_cell_length_c [6.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThNF]
_chemical_formula_sum '[Th2 N2 F2]'
_cell_volume [85.1600]
_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
[
  Th  Th0  2  0.2617  0.2500  0.2806  1
  N  N1  2  0.2649  0.2500  0.6374  1
  F  F2  2  0.2473  0.7500  0.9997  1
]