data_[Hf4Co2Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9472]
_cell_length_b [3.7519]
_cell_length_c [7.7039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2CoBi]
_chemical_formula_sum '[Hf4 Co2 Bi2]'
_cell_volume [165.5180]
_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  0.2814  0.2500  0.4537  1.0
  Hf  Hf1  2  0.3590  0.7500  0.1071  1.0
  Co  Co2  2  0.3958  0.7500  0.7087  1.0
  Bi  Bi3  2  0.0986  0.2500  0.7921  1.0
]