data_[Na4Ta4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [2.8568]
_cell_length_b [22.8923]
_cell_length_c [2.8941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaTaF]
_chemical_formula_sum '[Na4 Ta4 F4]'
_cell_volume [186.7541]
_cell_formula_units_Z [4]
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  0.0000  0.7970  0.0000  1
  Na  Na1  2  0.0000  0.9257  0.5000  1
  Ta  Ta2  2  0.0000  0.1540  0.5000  1
  Ta  Ta3  2  0.0000  0.5591  0.0000  1
  F  F4  2  0.0000  0.2491  0.5000  1
  F  F5  2  0.0000  0.3733  0.0000  1
]