data_[Ba8Mg2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6537]
_cell_length_b [8.7811]
_cell_length_c [9.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4MgAu]
_chemical_formula_sum '[Ba8 Mg2 Au2]'
_cell_volume [555.4345]
_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
[
  Ba  Ba0  4  0.3393  0.5171  0.2570  1
  Ba  Ba1  2  0.1189  0.2500  0.5608  1
  Ba  Ba2  2  0.2175  0.7500  0.8625  1
  Mg  Mg3  2  0.2249  0.2500  0.9329  1
  Au  Au4  2  0.3930  0.7500  0.5424  1
]