data_[Zr2Pd7Au3]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2809]
_cell_length_b [4.9985]
_cell_length_c [11.0249]
_cell_angle_alpha [77.1010]
_cell_angle_beta [89.7750]
_cell_angle_gamma [67.6456]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2Pd7Au3]
_chemical_formula_sum '[Zr2 Pd7 Au3]'
_cell_volume [211.8164]
_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  0.2072  0.5977  0.2846  1
  Pd  Pd1  2  0.0907  0.7563  0.7831  1
  Pd  Pd2  2  0.1636  0.6755  0.5375  1
  Pd  Pd3  2  0.4482  0.0989  0.8573  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.4635  0.0425  0.6199  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]