data_[Y12Sn6C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8013]
_cell_length_b [4.8013]
_cell_length_c [24.8423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y6Sn3C2]
_chemical_formula_sum '[Y12 Sn6 C4]'
_cell_volume [572.6876]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0837  1
  Y  Y1  4  0.0000  0.0000  0.3050  1
  Sn  Sn2  4  0.0000  0.0000  0.1773  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  C  C4  4  0.0000  0.0000  0.3970  1
]