data_[Hf36Ga3Sn18]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6783]
_cell_length_b [10.6783]
_cell_length_c [12.7130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf12GaSn6]
_chemical_formula_sum '[Hf36 Ga3 Sn18]'
_cell_volume [1255.4176]
_cell_formula_units_Z [3]
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  18  0.0453  0.8627  0.8129  1
  Hf  Hf1  18  0.0659  0.2172  0.4132  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0204  0.5875  0.7097  1
]