data_[Lu4Al6Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8991]
_cell_length_b [4.1375]
_cell_length_c [6.9068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2Al3Ir2]
_chemical_formula_sum '[Lu4 Al6 Ir4]'
_cell_volume [259.5897]
_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  4  0.1482  0.0000  0.7802  1.0
  Al  Al1  4  0.1374  0.5000  0.4434  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1372  0.0000  0.2030  1.0
]