data_[Hf2Co4Sn4]
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 [Pmmn]
_cell_length_a [4.3507]
_cell_length_b [4.3786]
_cell_length_c [9.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Hf(CoSn)2]
_chemical_formula_sum '[Hf2 Co4 Sn4]'
_cell_volume [177.3540]
_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  0.0000  0.5000  0.3305  1
  Co  Co1  2  0.0000  0.0000  0.1735  1
  Co  Co2  2  0.0000  0.0000  0.5008  1
  Sn  Sn3  2  0.0000  0.5000  0.0055  1
  Sn  Sn4  2  0.0000  0.5000  0.6710  1
]