data_[Lu16Sc8Ni12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2185]
_cell_length_b [5.8955]
_cell_length_c [13.9482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Sc2(NiC)3]
_chemical_formula_sum '[Lu16 Sc8 Ni12 C12]'
_cell_volume [814.6491]
_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  0.1155  0.0835  0.0951  1
  Lu  Lu1  8  0.2180  0.0825  0.4048  1
  Sc  Sc2  8  0.0492  0.4189  0.9032  1
  Ni  Ni3  8  0.2434  0.3392  0.2501  1
  Ni  Ni4  4  0.0000  0.0817  0.2500  1
  C  C5  8  0.0786  0.2645  0.5002  1
  C  C6  4  0.2500  0.2500  0.0000  1
]