data_[Y6H2C2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8755]
_cell_length_b [3.7113]
_cell_length_c [8.0958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3HCSe]
_chemical_formula_sum '[Y6 H2 C2 Se2]'
_cell_volume [230.4712]
_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  2  0.1304  0.2500  0.8599  1.0
  Y  Y1  2  0.2283  0.7500  0.5319  1.0
  Y  Y2  2  0.4503  0.7500  0.1599  1.0
  H  H3  2  0.0780  0.2500  0.5791  1.0
  Se  Se4  2  0.1741  0.2500  0.2257  1.0
  C  C5  2  0.3324  0.7500  0.8410  1.0
]