data_[Mn2Zn6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8173]
_cell_length_b [4.5740]
_cell_length_c [9.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn(ZnAu2)3]
_chemical_formula_sum '[Mn2 Zn6 Au12]'
_cell_volume [335.0124]
_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  0.0600  0.2500  0.3865  1
  Zn  Zn1  2  0.2484  0.2500  0.9958  1
  Zn  Zn2  2  0.3400  0.7500  0.8112  1
  Zn  Zn3  2  0.4606  0.2500  0.5887  1
  Au  Au4  2  0.0569  0.7500  0.9133  1
  Au  Au5  2  0.1452  0.7500  0.2212  1
  Au  Au6  2  0.1685  0.2500  0.6879  1
  Au  Au7  2  0.2460  0.7500  0.5225  1
  Au  Au8  2  0.3725  0.2500  0.2937  1
  Au  Au9  2  0.4552  0.7500  0.1022  1
]