data_[Hf6Ti2Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.0361]
_cell_length_b [5.6435]
_cell_length_c [5.6463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Hf3TiGa4]
_chemical_formula_sum '[Hf6 Ti2 Ga8]'
_cell_volume [287.9383]
_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  0.2496  0.7398  0.3114  1
  Hf  Hf1  2  0.0000  0.0296  0.5347  1
  Ti  Ti2  2  0.0000  0.4797  0.0836  1
  Ga  Ga3  4  0.2314  0.7572  0.8107  1
  Ga  Ga4  2  0.0000  0.5224  0.5794  1
  Ga  Ga5  2  0.0000  0.9870  0.0429  1
]