data_[Mn2Mo2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5186]
_cell_length_b [2.8360]
_cell_length_c [4.9278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnMoAu2]
_chemical_formula_sum '[Mn2 Mo2 Au4]'
_cell_volume [131.2431]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.0000  1
  Mo  Mo1  2  0.0000  0.0000  0.5000  1
  Au  Au2  4  0.2496  0.5000  0.7503  1
]