data_[Y16Mg20Ge24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3899]
_cell_length_b [19.6868]
_cell_length_c [15.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y4Mg5Ge6]
_chemical_formula_sum '[Y16 Mg20 Ge24]'
_cell_volume [1346.2474]
_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
[
  Y  Y0  4  0.0000  0.0099  0.5065  1
  Y  Y1  4  0.0000  0.0329  0.7699  1
  Y  Y2  4  0.0000  0.1629  0.3044  1
  Y  Y3  4  0.0000  0.1741  0.9438  1
  Mg  Mg4  4  0.0000  0.1553  0.6257  1
  Mg  Mg5  4  0.0000  0.3027  0.6207  1
  Mg  Mg6  4  0.0000  0.3385  0.2723  1
  Mg  Mg7  4  0.0000  0.3486  0.9804  1
  Mg  Mg8  4  0.0000  0.4421  0.6736  1
  Ge  Ge9  4  0.0000  0.1144  0.1199  1
  Ge  Ge10  4  0.0000  0.2289  0.4764  1
  Ge  Ge11  4  0.0000  0.2359  0.7708  1
  Ge  Ge12  4  0.0000  0.4286  0.1299  1
  Ge  Ge13  4  0.0000  0.4323  0.4088  1
  Ge  Ge14  4  0.0000  0.4444  0.8526  1
]