data_[Y16C4Se4]
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 [7.7598]
_cell_length_b [14.8573]
_cell_length_c [6.4926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4CSe]
_chemical_formula_sum '[Y16 C4 Se4]'
_cell_volume [619.1655]
_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  0.2063  0.1862  0.2349  1.0
  Y  Y1  8  0.2143  0.0585  0.7128  1.0
  C  C2  4  0.0000  0.0632  0.2500  1.0
  Se  Se3  4  0.0000  0.4282  0.7500  1.0
]