data_[Hf4Ga8Mo4]
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 [Pnma]
_cell_length_a [7.1549]
_cell_length_b [3.6410]
_cell_length_c [10.4482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfGa2Mo]
_chemical_formula_sum '[Hf4 Ga8 Mo4]'
_cell_volume [272.1881]
_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  4  0.2381  0.7500  0.8023  1.0
  Ga  Ga1  4  0.0616  0.7500  0.1607  1.0
  Ga  Ga2  4  0.2053  0.2500  0.0155  1.0
  Mo  Mo3  4  0.0514  0.2500  0.5929  1.0
]