data_[Al3Ge3Mo3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P3_212]
_cell_length_a [4.8496]
_cell_length_b [4.8496]
_cell_length_c [6.7315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [153]
_chemical_formula_structural [AlGeMo]
_chemical_formula_sum '[Al3 Ge3 Mo3]'
_cell_volume [137.1034]
_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
[
  Al  Al0  3  0.1682  0.3364  0.8333  1.0
  Ge  Ge1  3  0.0042  0.5021  0.5000  1.0
  Mo  Mo2  3  0.3359  0.1679  0.5000  1.0
]