data_[Hf4Ta2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9021]
_cell_length_b [3.8446]
_cell_length_c [9.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2TaSn]
_chemical_formula_sum '[Hf4 Ta2 Sn2]'
_cell_volume [170.8759]
_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  0.0093  0.0000  0.7603  1
  Ta  Ta1  2  0.0000  0.5000  0.0000  1
  Sn  Sn2  2  0.0000  0.5000  0.5000  1
]