data_[Mg3Al3Ga3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0267]
_cell_length_b [4.0267]
_cell_length_c [17.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgAlGaGe]
_chemical_formula_sum '[Mg3 Al3 Ga3 Ge3]'
_cell_volume [251.2319]
_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  3  0.0000  0.0000  0.5833  1
  Al  Al1  3  0.0000  0.0000  0.7480  1
  Ga  Ga2  3  0.0000  0.0000  0.1576  1
  Ge  Ge3  3  0.0000  0.0000  0.0131  1
]