data_[Y2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3483]
_cell_length_b [3.2448]
_cell_length_c [8.5612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YMoN3]
_chemical_formula_sum '[Y2 Mo2 N6]'
_cell_volume [120.6934]
_cell_formula_units_Z [2]
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  1  0.1333  0.0000  0.7820  1
  Y  Y1  1  0.6707  0.5000  0.1518  1
  Mo  Mo2  1  0.1741  0.0000  0.4045  1
  Mo  Mo3  1  0.5831  0.5000  0.5320  1
  N  N4  1  0.0841  0.5000  0.5613  1
  N  N5  1  0.1115  0.0000  0.1618  1
  N  N6  1  0.3143  0.0000  0.0516  1
  N  N7  1  0.5799  0.5000  0.7690  1
  N  N8  1  0.6473  0.0000  0.3630  1
  N  N9  1  0.8007  0.5000  0.8801  1
]