data_[Zr2Ti2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0144]
_cell_length_b [5.0352]
_cell_length_c [10.7829]
_cell_angle_alpha [83.6817]
_cell_angle_beta [78.5367]
_cell_angle_gamma [87.8956]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrTiAu5]
_chemical_formula_sum '[Zr2 Ti2 Au10]'
_cell_volume [265.1710]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1
  Zr  Zr1  1  0.5000  0.0000  0.5000  1
  Ti  Ti2  2  0.3427  0.5239  0.2961  1
  Au  Au3  2  0.0561  0.5154  0.8486  1
  Au  Au4  2  0.0618  0.0191  0.3577  1
  Au  Au5  2  0.2163  0.4866  0.5723  1
  Au  Au6  2  0.4013  0.9645  0.7695  1
  Au  Au7  2  0.4784  0.7313  0.0472  1
]