data_[Hf4Ni2Bi1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4190]
_cell_length_b [3.6778]
_cell_length_c [7.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf4Ni2BiP]
_chemical_formula_sum '[Hf4 Ni2 Bi1 P1]'
_cell_volume [146.0090]
_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  1  0.2664  0.5000  0.4631  1
  Hf  Hf1  1  0.2900  0.0000  0.0561  1
  Hf  Hf2  1  0.6957  0.5000  0.8884  1
  Hf  Hf3  1  0.7879  0.0000  0.5809  1
  Ni  Ni4  1  0.3469  0.0000  0.7118  1
  Ni  Ni5  1  0.6013  0.5000  0.3010  1
  Bi  Bi6  1  0.8746  0.0000  0.2092  1
  P  P7  1  0.1372  0.5000  0.7894  1
]