data_[Mg8Zn8Si4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.5141]
_cell_length_b [4.2948]
_cell_length_c [10.5145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2Zn2SiGe]
_chemical_formula_sum '[Mg8 Zn8 Si4 Ge4]'
_cell_volume [448.0550]
_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  0.1247  0.5000  0.6221  1
  Mg  Mg1  1  0.2496  0.0000  0.9977  1
  Mg  Mg2  1  0.3754  0.5000  0.3750  1
  Mg  Mg3  1  0.5057  0.0000  0.7519  1
  Mg  Mg4  1  0.6194  0.5000  0.1244  1
  Mg  Mg5  1  0.7466  0.0000  0.4964  1
  Mg  Mg6  1  0.8816  0.5000  0.8797  1
  Mg  Mg7  1  0.9988  0.0000  0.2551  1
  Zn  Zn8  1  0.0022  0.0000  0.0079  1
  Zn  Zn9  1  0.1284  0.5000  0.3737  1
  Zn  Zn10  1  0.2520  0.0000  0.7448  1
  Zn  Zn11  1  0.3714  0.5000  0.1271  1
  Zn  Zn12  1  0.4950  0.0000  0.4963  1
  Zn  Zn13  1  0.6325  0.5000  0.8803  1
  Zn  Zn14  1  0.7438  0.0000  0.2438  1
  Zn  Zn15  1  0.8741  0.5000  0.6253  1
  Si  Si16  1  0.1255  0.5000  0.1268  1
  Si  Si17  1  0.2495  0.0000  0.4985  1
  Si  Si18  1  0.4975  0.0000  0.2488  1
  Si  Si19  1  0.7520  0.0000  0.0010  1
  Ge  Ge20  1  0.0006  0.0000  0.7508  1
  Ge  Ge21  1  0.3764  0.5000  0.8744  1
  Ge  Ge22  1  0.6242  0.5000  0.6248  1
  Ge  Ge23  1  0.8732  0.5000  0.3735  1
]