data_[Mg10Zn2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8804]
_cell_length_b [11.3700]
_cell_length_c [4.4844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Mg5ZnAu2]
_chemical_formula_sum '[Mg10 Zn2 Au4]'
_cell_volume [299.8286]
_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
[
  Mg  Mg0  4  0.1066  0.2636  0.0000  1
  Mg  Mg1  4  0.1750  0.6116  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.0000  0.5000  0.0000  1
  Au  Au4  4  0.1583  0.8634  0.5000  1
]