data_[Y8Sn4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1205]
_cell_length_b [5.5515]
_cell_length_c [8.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2SnIr2]
_chemical_formula_sum '[Y8 Sn4 Ir8]'
_cell_volume [438.1504]
_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
[
  Y  Y0  8  0.1471  0.3436  0.1490  1.0
  Sn  Sn1  4  0.0000  0.1619  0.7500  1.0
  Ir  Ir2  8  0.1397  0.1402  0.4999  1.0
]