data_[Lu16Ti8Fe12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9854]
_cell_length_b [5.7521]
_cell_length_c [13.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Ti2(FeC)3]
_chemical_formula_sum '[Lu16 Ti8 Fe12 C12]'
_cell_volume [775.1725]
_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  0.1185  0.0774  0.6061  1
  Lu  Lu1  8  0.2125  0.9145  0.3938  1
  Ti  Ti2  8  0.0618  0.4133  0.4244  1
  Fe  Fe3  8  0.1146  0.3077  0.2510  1
  Fe  Fe4  4  0.0000  0.3504  0.7500  1
  C  C5  8  0.0779  0.2661  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]