data_[Hf6Co2Bi2]
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 [7.6901]
_cell_length_b [3.9298]
_cell_length_c [7.7389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3CoBi]
_chemical_formula_sum '[Hf6 Co2 Bi2]'
_cell_volume [211.7148]
_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  0.0225  0.7500  0.2129  1.0
  Hf  Hf1  2  0.3025  0.2500  0.5915  1.0
  Hf  Hf2  2  0.3263  0.7500  0.9156  1.0
  Co  Co3  2  0.0736  0.7500  0.5884  1.0
  Bi  Bi4  2  0.3330  0.2500  0.2122  1.0
]