data_[Mo1N2O4]
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 [P-1]
_cell_length_a [4.7395]
_cell_length_b [4.7618]
_cell_length_c [5.4605]
_cell_angle_alpha [78.2981]
_cell_angle_beta [80.2744]
_cell_angle_gamma [86.5987]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mo(NO2)2]
_chemical_formula_sum '[Mo1 N2 O4]'
_cell_volume [118.8984]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  N  N1  2  0.0027  0.9982  0.3971  1
  O  O2  2  0.0708  0.5707  0.0743  1
  O  O3  2  0.4242  0.0691  0.9012  1
]