data_[Zr6Pd5Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6777]
_cell_length_b [7.1280]
_cell_length_c [7.9331]
_cell_angle_alpha [116.6048]
_cell_angle_beta [105.0523]
_cell_angle_gamma [90.1700]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr6Pd5Pt]
_chemical_formula_sum '[Zr6 Pd5 Pt1]'
_cell_volume [226.1968]
_cell_formula_units_Z [1]
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  2  0.1731  0.9285  0.3559  1
  Zr  Zr1  2  0.1756  0.4062  0.3160  1
  Zr  Zr2  2  0.4920  0.2261  0.9573  1
  Pd  Pd3  2  0.3117  0.7961  0.6654  1
  Pd  Pd4  2  0.3132  0.3743  0.6726  1
  Pd  Pd5  1  0.0000  0.5000  0.0000  1
  Pt  Pt6  1  0.0000  0.0000  0.0000  1
]