data_[Lu20Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2807]
_cell_length_b [6.3886]
_cell_length_c [7.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu5Ir2]
_chemical_formula_sum '[Lu20 Ir8]'
_cell_volume [687.7982]
_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
[
  Lu  Lu0  8  0.0910  0.1207  0.9198  1.0
  Lu  Lu1  8  0.2210  0.4329  0.3172  1.0
  Lu  Lu2  4  0.0000  0.4286  0.2500  1.0
  Ir  Ir3  8  0.1089  0.2818  0.5730  1.0
]