data_[Na4Li4Ca4F16]
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 [Cmcm]
_cell_length_a [5.2378]
_cell_length_b [12.1036]
_cell_length_c [5.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaLiCaF4]
_chemical_formula_sum '[Na4 Li4 Ca4 F16]'
_cell_volume [331.5913]
_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  4  0.0000  0.3928  0.2500  1.0
  Li  Li1  4  0.0000  0.2607  0.7500  1.0
  Ca  Ca2  4  0.0000  0.1212  0.2500  1.0
  F  F3  8  0.2500  0.2500  0.0000  1.0
  F  F4  4  0.0000  0.0646  0.7500  1.0
  F  F5  4  0.0000  0.4233  0.7500  1.0
]