data_[Mo2N2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2569]
_cell_length_b [6.9163]
_cell_length_c [17.0038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MoNO]
_chemical_formula_sum '[Mo2 N2 O2]'
_cell_volume [383.0178]
_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
[
  Mo  Mo0  1  0.0445  0.0000  0.4878  1
  Mo  Mo1  1  0.9914  0.5000  0.5084  1
  N  N2  1  0.4923  0.5000  0.5643  1
  N  N3  1  0.4946  0.0000  0.5465  1
  O  O4  2  0.9918  0.2838  0.4465  1
]