data_[Na4La4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.6935]
_cell_length_b [5.6935]
_cell_length_c [11.4224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [NaLaF4]
_chemical_formula_sum '[Na4 La4 F16]'
_cell_volume [370.2693]
_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  0.0000  0.5000  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  F  F2  16  0.2385  0.2500  0.1250  1.0
]