data_[Gd2Sc4Ni2Sn6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5707]
_cell_length_b [13.1027]
_cell_length_c [7.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GdSc2NiSn3Ir2]
_chemical_formula_sum '[Gd2 Sc4 Ni2 Sn6 Ir4]'
_cell_volume [350.9568]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.5964  1
  Sc  Sc1  4  0.0000  0.2016  0.2022  1
  Ni  Ni2  2  0.0000  0.0000  0.0019  1
  Sn  Sn3  4  0.5000  0.1325  0.8732  1
  Sn  Sn4  2  0.5000  0.0000  0.2559  1
  Ir  Ir5  4  0.5000  0.1717  0.4975  1
]