data_[Hf6In2Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5613]
_cell_length_b [5.6889]
_cell_length_c [5.6446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Hf3InGa4]
_chemical_formula_sum '[Hf6 In2 Ga8]'
_cell_volume [307.0280]
_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  0.2278  0.6272  0.1418  1
  Hf  Hf1  2  0.0000  0.8671  0.5280  1
  In  In2  2  0.0000  0.3819  0.8723  1
  Ga  Ga3  4  0.2240  0.1231  0.2098  1
  Ga  Ga4  2  0.0000  0.3821  0.3892  1
  Ga  Ga5  2  0.0000  0.9115  0.0226  1
]