data_[Hf4Co2Sn5]
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/m]
_cell_length_a [7.4649]
_cell_length_b [3.3571]
_cell_length_c [9.0658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Co2Sn5]
_chemical_formula_sum '[Hf4 Co2 Sn5]'
_cell_volume [226.6997]
_cell_formula_units_Z [1]
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  0.1967  0.5000  0.4380  1.0
  Hf  Hf1  2  0.2032  0.5000  0.8422  1.0
  Co  Co2  2  0.0807  0.0000  0.6326  1.0
  Sn  Sn3  2  0.1409  0.0000  0.1418  1.0
  Sn  Sn4  2  0.4597  0.0000  0.6628  1.0
  Sn  Sn5  1  0.5000  0.0000  0.0000  1.0
]