data_[Hf16Ga4Mo2]
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 [C2/m]
_cell_length_a [15.5706]
_cell_length_b [4.3617]
_cell_length_c [7.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Ga2Mo]
_chemical_formula_sum '[Hf16 Ga4 Mo2]'
_cell_volume [452.4612]
_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
[
  Hf  Hf0  4  0.0298  0.0000  0.7866  1
  Hf  Hf1  4  0.0931  0.5000  0.4641  1
  Hf  Hf2  4  0.1730  0.5000  0.9316  1
  Hf  Hf3  4  0.1764  0.0000  0.2619  1
  Ga  Ga4  4  0.2010  0.0000  0.6781  1
  Mo  Mo5  2  0.0000  0.5000  0.0000  1
]