data_[Hf8Ga12Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.3444]
_cell_length_b [7.5384]
_cell_length_c [4.9442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf2Ga3Mo]
_chemical_formula_sum '[Hf8 Ga12 Mo4]'
_cell_volume [460.0938]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  8  0.1346  0.3128  0.2500  1
  Ga  Ga1  8  0.1957  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.3880  0.7500  1
  Mo  Mo3  4  0.0000  0.0426  0.7500  1
]