data_[Na6Zr2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7163]
_cell_length_b [7.9084]
_cell_length_c [6.3358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3ZrF7]
_chemical_formula_sum '[Na6 Zr2 F14]'
_cell_volume [319.3949]
_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
[
  Na  Na0  4  0.0059  0.2308  0.5106  1.0
  Na  Na1  2  0.4813  0.0000  0.9440  1.0
  Zr  Zr2  2  0.4536  0.5000  0.9734  1.0
  F  F3  4  0.1570  0.1730  0.2531  1.0
  F  F4  4  0.3762  0.2690  0.7746  1.0
  F  F5  2  0.1236  0.5000  0.7077  1.0
  F  F6  2  0.1459  0.0000  0.8369  1.0
  F  F7  2  0.3422  0.5000  0.2115  1.0
]