data_[Y24C8Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0496]
_cell_length_b [11.3900]
_cell_length_c [6.4963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3CSe]
_chemical_formula_sum '[Y24 C8 Se8]'
_cell_volume [955.4370]
_cell_formula_units_Z [8]
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  0.1035  0.2365  0.1102  1.0
  Y  Y1  8  0.1040  0.0815  0.6111  1.0
  Y  Y2  8  0.1118  0.3952  0.6286  1.0
  Se  Se3  8  0.2443  0.4181  0.0124  1.0
  C  C4  4  0.0000  0.0802  0.2500  1.0
  C  C5  4  0.0000  0.2512  0.7500  1.0
]