data_[Hf10Ti4Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4944]
_cell_length_b [3.8643]
_cell_length_c [11.6240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5Ti2Bi5]
_chemical_formula_sum '[Hf10 Ti4 Bi10]'
_cell_volume [563.6868]
_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  4  0.1165  0.5000  0.2524  1.0
  Hf  Hf1  4  0.1671  0.5000  0.0023  1.0
  Hf  Hf2  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti3  4  0.0603  0.0000  0.7753  1.0
  Bi  Bi4  4  0.1440  0.0000  0.4737  1.0
  Bi  Bi5  4  0.2114  0.5000  0.7619  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]