data_[Cu2Pt12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7609]
_cell_length_b [3.9080]
_cell_length_c [8.3315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(Pt3Rh)2]
_chemical_formula_sum '[Cu2 Pt12 Rh4]'
_cell_volume [270.7077]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt1  4  0.0009  0.0000  0.1765  1.0
  Rh  Rh2  4  0.1639  0.5000  0.7186  1.0
  Pt  Pt3  4  0.1658  0.5000  0.0552  1.0
  Pt  Pt4  4  0.1691  0.5000  0.3935  1.0
]