data_[Hf4V4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.2252]
_cell_length_b [2.9026]
_cell_length_c [18.0031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfVGa2]
_chemical_formula_sum '[Hf4 V4 Ga8]'
_cell_volume [273.0502]
_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  0.0760  0.7500  0.8736  1
  V  V1  4  0.0734  0.2500  0.6231  1
  Ga  Ga2  4  0.1757  0.7500  0.2497  1
  Ga  Ga3  4  0.2269  0.7500  0.5028  1
]