data_[Hf16Ga2Sn4]
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 [C2/m]
_cell_length_a [15.6731]
_cell_length_b [4.3726]
_cell_length_c [7.3522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8GaSn2]
_chemical_formula_sum '[Hf16 Ga2 Sn4]'
_cell_volume [474.5733]
_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  0.0449  0.0000  0.7489  1.0
  Hf  Hf1  4  0.0879  0.5000  0.4469  1.0
  Hf  Hf2  4  0.1376  0.0000  0.1899  1.0
  Hf  Hf3  4  0.1802  0.5000  0.9193  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.2192  0.0000  0.6491  1.0
]