data_[Y16C28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.7061]
_cell_length_b [12.5956]
_cell_length_c [13.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y4C7]
_chemical_formula_sum '[Y16 C28]'
_cell_volume [637.3449]
_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  4  0.1983  0.0153  0.3923  1
  Y  Y1  4  0.2379  0.7373  0.0066  1
  Y  Y2  4  0.3680  0.1956  0.7109  1
  Y  Y3  4  0.3767  0.0389  0.1182  1
  C  C4  4  0.0852  0.1045  0.8606  1
  C  C5  4  0.0893  0.5831  0.7288  1
  C  C6  4  0.1244  0.6711  0.3470  1
  C  C7  4  0.1960  0.6513  0.2560  1
  C  C8  4  0.2543  0.1107  0.9523  1
  C  C9  4  0.2901  0.1165  0.5505  1
  C  C10  4  0.3333  0.6408  0.1743  1
]