data_[Y4B6C4]
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 [Cmmm]
_cell_length_a [3.3960]
_cell_length_b [13.7390]
_cell_length_c [3.6522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y2B3C2]
_chemical_formula_sum '[Y4 B6 C4]'
_cell_volume [170.4012]
_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  4  0.0000  0.3637  0.5000  1.0
  B  B1  4  0.0000  0.2173  0.0000  1.0
  B  B2  2  0.0000  0.0000  0.0000  1.0
  C  C3  4  0.0000  0.1050  0.0000  1.0
]