data_[Mg8Sb4As4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [11.0869]
_cell_length_b [4.5268]
_cell_length_c [11.0877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2SbAsAu2]
_chemical_formula_sum '[Mg8 Sb4 As4 Au8]'
_cell_volume [524.3073]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  1  0.0038  0.0000  0.2502  1
  Mg  Mg1  1  0.1291  0.5000  0.6186  1
  Mg  Mg2  1  0.2504  0.0000  0.0087  1
  Mg  Mg3  1  0.3714  0.5000  0.3715  1
  Mg  Mg4  1  0.5036  0.0000  0.7507  1
  Mg  Mg5  1  0.6214  0.5000  0.1253  1
  Mg  Mg6  1  0.7426  0.0000  0.4926  1
  Mg  Mg7  1  0.8785  0.5000  0.8859  1
  Sb  Sb8  1  0.0016  0.0000  0.7521  1
  Sb  Sb9  1  0.3766  0.5000  0.8762  1
  Sb  Sb10  1  0.6229  0.5000  0.6244  1
  Sb  Sb11  1  0.8739  0.5000  0.3724  1
  As  As12  1  0.1264  0.5000  0.1277  1
  As  As13  1  0.2490  0.0000  0.4967  1
  As  As14  1  0.4974  0.0000  0.2490  1
  As  As15  1  0.7527  0.0000  0.0019  1
  Au  Au16  1  0.0023  0.0000  0.0060  1
  Au  Au17  1  0.1272  0.5000  0.3724  1
  Au  Au18  1  0.2518  0.0000  0.7460  1
  Au  Au19  1  0.3736  0.5000  0.1280  1
  Au  Au20  1  0.4931  0.0000  0.4947  1
  Au  Au21  1  0.6308  0.5000  0.8804  1
  Au  Au22  1  0.7452  0.0000  0.2433  1
  Au  Au23  1  0.8746  0.5000  0.6253  1
]