data_[Y8Cd12Mo16C12]
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
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8543]
_cell_length_b [5.7142]
_cell_length_c [14.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Cd3Mo4C3]
_chemical_formula_sum '[Y8 Cd12 Mo16 C12]'
_cell_volume [792.7735]
_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  8  0.0391  0.4222  0.8874  1
  Cd  Cd1  8  0.2445  0.3421  0.2520  1
  Cd  Cd2  4  0.0000  0.0690  0.2500  1
  Mo  Mo3  8  0.1071  0.0965  0.0677  1
  Mo  Mo4  8  0.2333  0.0755  0.4325  1
  C  C5  8  0.0857  0.2436  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]