data_[Y16Ti8Sn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  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 [10.4378]
_cell_length_b [6.0529]
_cell_length_c [15.3537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Ti2(SnC)3]
_chemical_formula_sum '[Y16 Ti8 Sn12 C12]'
_cell_volume [943.6628]
_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
[
  Y  Y0  8  0.1149  0.0774  0.5919  1
  Y  Y1  8  0.2158  0.0863  0.9082  1
  Ti  Ti2  8  0.0615  0.4147  0.4295  1
  Sn  Sn3  8  0.1446  0.4367  0.7480  1
  Sn  Sn4  4  0.0000  0.1318  0.2500  1
  C  C5  8  0.0733  0.2803  0.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]