data_[Hf6Co2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4800]
_cell_length_b [3.8653]
_cell_length_c [7.6440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3CoSn]
_chemical_formula_sum '[Hf6 Co2 Sn2]'
_cell_volume [199.7718]
_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  2  0.0336  0.7500  0.2158  1.0
  Hf  Hf1  2  0.3268  0.2500  0.5869  1.0
  Hf  Hf2  2  0.3278  0.7500  0.9065  1.0
  Co  Co3  2  0.0690  0.7500  0.5832  1.0
  Sn  Sn4  2  0.3271  0.2500  0.1979  1.0
]