data_[Y8Ni12Mo16N12]
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
  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 [9.3143]
_cell_length_b [5.4213]
_cell_length_c [13.2912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Ni3Mo4N3]
_chemical_formula_sum '[Y8 Ni12 Mo16 N12]'
_cell_volume [653.2218]
_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  0.0397  0.4193  0.3751  1
  Ni  Ni1  8  0.2460  0.3387  0.7505  1
  Ni  Ni2  4  0.0000  0.0762  0.7500  1
  Mo  Mo3  8  0.1115  0.0775  0.5798  1
  Mo  Mo4  8  0.2200  0.0834  0.9198  1
  N  N5  8  0.0789  0.2651  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]