data_[Ta2Mo4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5602]
_cell_length_b [2.7402]
_cell_length_c [5.1810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaMo2Au]
_chemical_formula_sum '[Ta2 Mo4 Au2]'
_cell_volume [134.8274]
_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
[
  Ta  Ta0  2  0.4947  0.0000  0.4942  1
  Mo  Mo1  2  0.0064  0.0000  0.9949  1
  Mo  Mo2  2  0.2498  0.0000  0.7582  1
  Au  Au3  2  0.2491  0.5000  0.2527  1
]