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 [C2/c]
_cell_length_a [7.1361]
_cell_length_b [10.5147]
_cell_length_c [5.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiLuF4]
_chemical_formula_sum '[Li4 Lu4 F16]'
_cell_volume [280.3012]
_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  0.1100  0.2500  1.0
  Lu  Lu1  4  0.0000  0.3726  0.7500  1.0
  F  F2  8  0.1601  0.2057  0.1255  1.0
  F  F3  8  0.2156  0.5414  0.7812  1.0
]