data_[Lu16Hf8Bi12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [C2/c]
_cell_length_a [10.5790]
_cell_length_b [6.1137]
_cell_length_c [15.3251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Hf2(BiC)3]
_chemical_formula_sum '[Lu16 Hf8 Bi12 C12]'
_cell_volume [963.7918]
_cell_formula_units_Z [4]
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
[
  Lu  Lu0  8  0.1126  0.0778  0.5857  1
  Lu  Lu1  8  0.2182  0.0867  0.9144  1
  Hf  Hf2  8  0.0600  0.4143  0.4229  1
  Bi  Bi3  8  0.1600  0.4250  0.7485  1
  Bi  Bi4  4  0.0000  0.0949  0.2500  1
  C  C5  8  0.0780  0.2651  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]