data_[Ga6Ge4Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6384]
_cell_length_b [11.2447]
_cell_length_c [4.8196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ga3Ge2Mo3]
_chemical_formula_sum '[Ga6 Ge4 Mo6]'
_cell_volume [251.1359]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  4  0.2511  0.5070  0.6513  1
  Ga  Ga1  2  0.2158  0.2500  0.6382  1
  Ge  Ge2  4  0.2800  0.6252  0.1699  1
  Mo  Mo3  4  0.2162  0.1233  0.1407  1
  Mo  Mo4  2  0.2918  0.7500  0.6778  1
]