data_[Ce4Lu4Ti16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0595]
_cell_length_b [8.0595]
_cell_length_c [8.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CeLuTi4]
_chemical_formula_sum '[Ce4 Lu4 Ti16]'
_cell_volume [523.5096]
_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
[
  Ce  Ce0  4  0.2500  0.2500  0.2500  1
  Lu  Lu1  4  0.0000  0.0000  0.0000  1
  Ti  Ti2  16  0.1248  0.1248  0.6248  1
]