data_[Lu10Al6]
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 [P6_3/mcm]
_cell_length_a [8.6603]
_cell_length_b [8.6603]
_cell_length_c [6.2175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Lu5Al3]
_chemical_formula_sum '[Lu10 Al6]'
_cell_volume [403.8425]
_cell_formula_units_Z [2]
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  6  0.0000  0.2404  0.2500  1
  Lu  Lu1  4  0.3333  0.6667  0.5000  1
  Al  Al2  6  0.0000  0.4022  0.7500  1
]