data_[Y8Cd12Mo16N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8679]
_cell_length_b [5.7315]
_cell_length_c [14.1391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Cd3Mo4N3]
_chemical_formula_sum '[Y8 Cd12 Mo16 N12]'
_cell_volume [777.6836]
_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  0.0445  0.4187  0.8892  1
  Cd  Cd1  8  0.2383  0.3449  0.2490  1
  Cd  Cd2  4  0.0000  0.0602  0.2500  1
  Mo  Mo3  8  0.1077  0.0728  0.0652  1
  Mo  Mo4  8  0.2223  0.0844  0.4351  1
  N  N5  8  0.0787  0.2627  0.4998  1
  N  N6  4  0.2500  0.2500  0.0000  1
]