data_[Na2Th1Ni1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9214]
_cell_length_b [5.4337]
_cell_length_c [8.1149]
_cell_angle_alpha [86.7748]
_cell_angle_beta [89.8532]
_cell_angle_gamma [88.0745]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2ThNiF8]
_chemical_formula_sum '[Na2 Th1 Ni1 F8]'
_cell_volume [172.5416]
_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
[
  Na  Na0  2  0.4929  0.4656  0.7886  1
  Th  Th1  1  0.0000  0.0000  0.5000  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0156  0.3309  0.3217  1
  F  F4  2  0.0177  0.1464  0.7712  1
  F  F5  2  0.4004  0.7730  0.9691  1
  F  F6  2  0.4984  0.2232  0.5506  1
]