data_[Na4Ca2V2F12]
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 [P2_1/c]
_cell_length_a [5.7091]
_cell_length_b [5.9183]
_cell_length_c [10.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2CaVF6]
_chemical_formula_sum '[Na4 Ca2 V2 F12]'
_cell_volume [278.3950]
_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  0.2410  0.0527  0.2526  1.0
  Ca  Ca1  2  0.5000  0.0000  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1079  0.1987  0.9305  1.0
  F  F4  4  0.2439  0.6818  0.9379  1.0
  F  F5  4  0.3650  0.0658  0.7407  1.0
]