data_[Cu4Ir4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6476]
_cell_length_b [5.3915]
_cell_length_c [6.4775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuIrPt4]
_chemical_formula_sum '[Cu4 Ir4 Pt16]'
_cell_volume [400.0577]
_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
[
  Cu  Cu0  4  0.2135  0.5000  0.1651  1
  Ir  Ir1  4  0.0651  0.5000  0.7219  1
  Pt  Pt2  8  0.1355  0.2471  0.4537  1
  Pt  Pt3  4  0.0000  0.2440  0.0000  1
  Pt  Pt4  4  0.2093  0.0000  0.1499  1
]