data_[Zr8Pt48Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0709]
_cell_length_b [11.4166]
_cell_length_c [11.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ZrPt6Au]
_chemical_formula_sum '[Zr8 Pt48 Au8]'
_cell_volume [1053.1433]
_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
[
  Zr  Zr0  4  0.0000  0.0000  0.2466  1
  Zr  Zr1  4  0.0000  0.2471  0.5000  1
  Pt  Pt2  16  0.2477  0.1251  0.1261  1
  Pt  Pt3  16  0.2497  0.1256  0.3759  1
  Pt  Pt4  8  0.0000  0.2478  0.2532  1
  Pt  Pt5  2  0.0000  0.0000  0.0000  1
  Pt  Pt6  2  0.0000  0.0000  0.5000  1
  Pt  Pt7  2  0.0000  0.5000  0.0000  1
  Pt  Pt8  2  0.0000  0.5000  0.5000  1
  Au  Au9  4  0.0000  0.2506  0.0000  1
  Au  Au10  4  0.0000  0.5000  0.2463  1
]