data_[Zn1In4Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4867]
_cell_length_b [5.9791]
_cell_length_c [6.9864]
_cell_angle_alpha [95.9039]
_cell_angle_beta [105.6645]
_cell_angle_gamma [99.3523]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnIn4Au5]
_chemical_formula_sum '[Zn1 In4 Au5]'
_cell_volume [215.1351]
_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
[
  Zn  Zn0  1  0.0000  0.0000  0.0000  1
  In  In1  2  0.0954  0.7702  0.4878  1
  In  In2  2  0.4732  0.6002  0.2303  1
  Au  Au3  2  0.0993  0.5948  0.8475  1
  Au  Au4  2  0.3473  0.1573  0.3565  1
  Au  Au5  1  0.5000  0.0000  0.0000  1
]