data_[Y2B6C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.6847]
_cell_length_b [6.6847]
_cell_length_c [3.0764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Y2(B2C)3]
_chemical_formula_sum '[Y2 B6 C3]'
_cell_volume [119.0492]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1
  B  B1  3  0.0000  0.1464  0.0000  1
  B  B2  3  0.0000  0.7851  0.5000  1
  C  C3  3  0.0000  0.5671  0.5000  1
]