data_[Zr12In6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9353]
_cell_length_b [7.2033]
_cell_length_c [10.9308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6In3Au]
_chemical_formula_sum '[Zr12 In6 Au2]'
_cell_volume [463.6280]
_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  4  0.0532  0.1474  0.3090  1
  Zr  Zr1  4  0.2454  0.1803  0.6792  1
  Zr  Zr2  4  0.4013  0.6232  0.8487  1
  In  In3  4  0.2624  0.6830  0.0495  1
  In  In4  2  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]