data_[Lu8Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.7638]
_cell_length_b [11.2054]
_cell_length_c [5.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LuAl]
_chemical_formula_sum '[Lu8 Al8]'
_cell_volume [356.7630]
_cell_formula_units_Z [8]
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
[
  Lu  Lu0  4  0.1589  0.0182  0.2500  1.0
  Lu  Lu1  4  0.3946  0.1696  0.7500  1.0
  Al  Al2  4  0.0708  0.7500  0.0000  1.0
  Al  Al3  4  0.3438  0.5959  0.2500  1.0
]