data_[Y16Zn12Mo8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  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 [10.0765]
_cell_length_b [5.8705]
_cell_length_c [14.0063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Zn3Mo2N3]
_chemical_formula_sum '[Y16 Zn12 Mo8 N12]'
_cell_volume [802.5608]
_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  0.1191  0.0768  0.6040  1
  Y  Y1  8  0.2112  0.0886  0.8956  1
  Zn  Zn2  8  0.1227  0.4607  0.7479  1
  Zn  Zn3  4  0.0000  0.1706  0.2500  1
  Mo  Mo4  8  0.0631  0.4156  0.4342  1
  N  N5  8  0.0817  0.2541  0.9999  1
  N  N6  4  0.2500  0.2500  0.5000  1
]