data_[Lu16Sc8Sn12C12]
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
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4548]
_cell_length_b [6.0362]
_cell_length_c [15.5913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Sc2(SnC)3]
_chemical_formula_sum '[Lu16 Sc8 Sn12 C12]'
_cell_volume [959.0306]
_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  0.1120  0.0826  0.5858  1
  Lu  Lu1  8  0.2211  0.0835  0.9142  1
  Sc  Sc2  8  0.0575  0.4166  0.4220  1
  Sn  Sn3  8  0.1551  0.4275  0.7498  1
  Sn  Sn4  4  0.0000  0.1071  0.2500  1
  C  C5  8  0.0817  0.2549  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]