data_[Zr2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0127]
_cell_length_b [5.4739]
_cell_length_c [5.6594]
_cell_angle_alpha [63.7970]
_cell_angle_beta [69.8288]
_cell_angle_gamma [83.5225]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrF4]
_chemical_formula_sum '[Zr2 F8]'
_cell_volume [130.6423]
_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
[
  Zr  Zr0  2  0.2411  0.7382  0.0746  1.0
  F  F1  2  0.0305  0.9927  0.7830  1.0
  F  F2  2  0.4323  0.3250  0.2332  1.0
  F  F3  2  0.4733  0.1695  0.7858  1.0
  F  F4  1  0.0000  0.5000  0.0000  1.0
  F  F5  1  0.0000  0.5000  0.5000  1.0
]