data_[Mg18Ga24Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4877]
_cell_length_b [7.4877]
_cell_length_c [18.6863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6Ga8Ge]
_chemical_formula_sum '[Mg18 Ga24 Ge3]'
_cell_volume [907.2905]
_cell_formula_units_Z [3]
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  18  0.0169  0.2709  0.7170  1
  Ga  Ga1  18  0.0089  0.6292  0.7961  1
  Ga  Ga2  6  0.0000  0.0000  0.3938  1
  Ge  Ge3  3  0.0000  0.0000  0.0000  1
]