data_[Hf1Zr1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7948]
_cell_length_b [3.4599]
_cell_length_c [9.2395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfZrBi4]
_chemical_formula_sum '[Hf1 Zr1 Bi4]'
_cell_volume [180.7979]
_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  0.5000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  2  0.2414  0.5000  0.2232  1.0
  Bi  Bi3  2  0.2607  0.0000  0.7775  1.0
]