data_[Y2Mg16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1748]
_cell_length_b [12.1023]
_cell_length_c [5.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(Mg4Ir)2]
_chemical_formula_sum '[Y2 Mg16 Ir4]'
_cell_volume [498.3071]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Mg  Mg1  8  0.1993  0.1334  0.0760  1
  Mg  Mg2  4  0.0000  0.2703  0.5000  1
  Mg  Mg3  4  0.0883  0.5000  0.2685  1
  Ir  Ir4  4  0.0000  0.3102  0.0000  1
]