data_[Mn2Pt2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.2118]
_cell_length_b [4.9790]
_cell_length_c [5.8187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [MnPtAu4]
_chemical_formula_sum '[Mn2 Pt2 Au8]'
_cell_volume [206.2286]
_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  0.5000  0.1003  0.7500  1
  Pt  Pt1  2  0.0000  0.4119  0.7500  1
  Au  Au2  4  0.1738  0.0944  0.4201  1
  Au  Au3  4  0.3361  0.3987  0.0790  1
]