data_[Mo4Ru2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2816]
_cell_length_b [2.8307]
_cell_length_c [4.8978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mo2RuAu]
_chemical_formula_sum '[Mo4 Ru2 Au2]'
_cell_volume [126.4699]
_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
[
  Mo  Mo0  2  0.2456  0.0000  0.7311  1
  Mo  Mo1  2  0.4971  0.5000  0.9964  1
  Ru  Ru2  2  0.0059  0.5000  0.5281  1
  Au  Au3  2  0.2513  0.5000  0.2444  1
]