data_[Y16C6Se4]
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/m]
_cell_length_a [13.9544]
_cell_length_b [7.3245]
_cell_length_c [6.4058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8C3Se2]
_chemical_formula_sum '[Y16 C6 Se4]'
_cell_volume [625.1464]
_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  0.1008  0.2403  0.3913  1.0
  Y  Y1  4  0.0977  0.5000  0.9062  1.0
  Y  Y2  4  0.0985  0.0000  0.8985  1.0
  C  C3  4  0.0000  0.2504  0.0000  1.0
  Se  Se4  4  0.2457  0.5000  0.6675  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]