data_[Y6Ni8B8C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5680]
_cell_length_b [3.5680]
_cell_length_c [25.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y3Ni4B4C3]
_chemical_formula_sum '[Y6 Ni8 B8 C6]'
_cell_volume [323.9732]
_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  0.0000  0.2992  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  8  0.0000  0.5000  0.1005  1.0
  B  B3  4  0.0000  0.0000  0.1448  1.0
  B  B4  4  0.0000  0.0000  0.4414  1.0
  C  C5  4  0.0000  0.0000  0.2033  1.0
  C  C6  2  0.0000  0.0000  0.5000  1.0
]