data_[Y8Mg8Ge12]
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 [C2/m]
_cell_length_a [15.3131]
_cell_length_b [4.3540]
_cell_length_c [12.0537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Mg2Ge3]
_chemical_formula_sum '[Y8 Mg8 Ge12]'
_cell_volume [647.3800]
_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  0.1038  0.5000  0.9486  1
  Y  Y1  4  0.2297  0.5000  0.3266  1
  Mg  Mg2  4  0.0526  0.0000  0.3263  1
  Mg  Mg3  4  0.0911  0.5000  0.6623  1
  Ge  Ge4  4  0.0851  0.0000  0.1218  1
  Ge  Ge5  4  0.1380  0.5000  0.4824  1
  Ge  Ge6  4  0.1673  0.0000  0.8290  1
]