data_[Na4Li2Ca2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7336]
_cell_length_b [5.9491]
_cell_length_c [9.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2LiCaF6]
_chemical_formula_sum '[Na4 Li2 Ca2 F12]'
_cell_volume [262.7489]
_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  0.2265  0.0639  0.2464  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.1135  0.2134  0.9229  1.0
  F  F4  4  0.2097  0.6985  0.9231  1.0
  F  F5  4  0.3809  0.0730  0.7325  1.0
]