data_[Y12Sb4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4466]
_cell_length_b [7.8817]
_cell_length_c [11.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6Sb2C]
_chemical_formula_sum '[Y12 Sb4 C2]'
_cell_volume [490.0375]
_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  4  0.1315  0.1630  0.4573  1.0
  Y  Y1  4  0.3146  0.7098  0.4543  1.0
  Y  Y2  4  0.3599  0.0259  0.2512  1.0
  Sb  Sb3  4  0.1832  0.1077  0.7566  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]