data_[Li4Lu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Lu  1.2700  1.7500  1.0010
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.1647]
_cell_length_b [5.1647]
_cell_length_c [10.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [LiLuF4]
_chemical_formula_sum '[Li4 Lu4 F16]'
_cell_volume [281.3845]
_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
[
  Li  Li0  4  0.0000  0.0000  0.0000  1.0
  Lu  Lu1  4  0.0000  0.0000  0.5000  1.0
  F  F2  16  0.1696  0.2143  0.3308  1.0
]