data_[Y12Cd4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9335]
_cell_length_b [7.0869]
_cell_length_c [6.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y3CdC]
_chemical_formula_sum '[Y12 Cd4 C4]'
_cell_volume [485.4933]
_cell_formula_units_Z [4]
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  0.0512  0.2354  0.5179  1.0
  Y  Y1  4  0.2680  0.2513  0.0838  1.0
  Y  Y2  2  0.0049  0.0000  0.9980  1.0
  Y  Y3  2  0.3117  0.0000  0.6316  1.0
  Cd  Cd4  2  0.0331  0.5000  0.0632  1.0
  Cd  Cd5  2  0.2841  0.5000  0.5448  1.0
  C  C6  2  0.1613  0.0000  0.7965  1.0
  C  C7  2  0.4118  0.5000  0.2873  1.0
]