data_[Hf6Bi2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9618]
_cell_length_b [3.3380]
_cell_length_c [8.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3BiC]
_chemical_formula_sum '[Hf6 Bi2 C2]'
_cell_volume [201.1530]
_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  0.0040  0.7500  0.3490  1.0
  Hf  Hf1  2  0.3223  0.7500  0.9414  1.0
  Hf  Hf2  2  0.3755  0.2500  0.6335  1.0
  Bi  Bi3  2  0.2497  0.2500  0.2204  1.0
  C  C4  2  0.1870  0.7500  0.6417  1.0
]