data_[Ga10Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [4.9993]
_cell_length_b [4.9993]
_cell_length_c [8.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [182]
_chemical_formula_structural [Ga5Mo]
_chemical_formula_sum '[Ga10 Mo2]'
_cell_volume [193.3350]
_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  6  0.0000  0.3462  0.5000  1.0
  Ga  Ga1  2  0.0000  0.0000  0.2500  1.0
  Ga  Ga2  2  0.3333  0.6667  0.7500  1.0
  Mo  Mo3  2  0.3333  0.6667  0.2500  1.0
]