data_[Zr2Te2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5373]
_cell_length_b [5.5925]
_cell_length_c [6.3884]
_cell_angle_alpha [81.2508]
_cell_angle_beta [81.5634]
_cell_angle_gamma [86.9045]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrTeF3]
_chemical_formula_sum '[Zr2 Te2 F6]'
_cell_volume [193.3130]
_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  1  0.1726  0.3608  0.4658  1
  Zr  Zr1  1  0.7231  0.8878  0.2342  1
  Te  Te2  1  0.0866  0.9458  0.8205  1
  Te  Te3  1  0.7701  0.6419  0.7100  1
  F  F4  1  0.3333  0.4216  0.7044  1
  F  F5  1  0.4520  0.6200  0.2978  1
  F  F6  1  0.4908  0.1235  0.4133  1
  F  F7  1  0.5175  0.0600  0.0331  1
  F  F8  1  0.9733  0.5767  0.2372  1
  F  F9  1  0.9884  0.1056  0.3198  1
]