data_[Zn2In2Au4]
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 [P2_1/m]
_cell_length_a [5.4853]
_cell_length_b [4.0834]
_cell_length_c [7.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnInAu2]
_chemical_formula_sum '[Zn2 In2 Au4]'
_cell_volume [157.6227]
_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
[
  Zn  Zn0  2  0.3897  0.2500  0.5912  1
  In  In1  2  0.2285  0.7500  0.9025  1
  Au  Au2  2  0.0830  0.7500  0.3830  1
  Au  Au3  2  0.3267  0.2500  0.2002  1
]