data_[Sc16Cu24Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.4945]
_cell_length_b [8.3027]
_cell_length_c [16.5028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Sc2Cu3Pt]
_chemical_formula_sum '[Sc16 Cu24 Pt8]'
_cell_volume [752.8359]
_cell_formula_units_Z [8]
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
[
  Sc  Sc0  16  0.0000  0.0000  0.3203  1
  Cu  Cu1  16  0.0000  0.0000  0.1560  1
  Cu  Cu2  8  0.0000  0.0000  0.0000  1
  Pt  Pt3  8  0.0000  0.0000  0.5000  1
]