data_[Na2Ca4V2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1100]
_cell_length_b [7.2097]
_cell_length_c [7.0710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NaCa2VF8]
_chemical_formula_sum '[Na2 Ca4 V2 F16]'
_cell_volume [362.4675]
_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  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca1  4  0.0000  0.5000  0.2526  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0000  0.1869  0.2061  1.0
  F  F4  4  0.1916  0.5000  0.5000  1.0
  F  F5  4  0.2184  0.5000  0.0000  1.0
]