data_[Hf4Bi2C2]
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 [6.3445]
_cell_length_b [3.2803]
_cell_length_c [7.7879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2BiC]
_chemical_formula_sum '[Hf4 Bi2 C2]'
_cell_volume [156.9687]
_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  0.2925  0.7500  0.0134  1
  Hf  Hf1  2  0.3617  0.7500  0.6456  1
  Bi  Bi2  2  0.1401  0.2500  0.3041  1
  C  C3  2  0.3526  0.2500  0.8329  1
]