data_MoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   92.58
_cell_angle_beta   92.58
_cell_angle_gamma   155.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoO2
_chemical_formula_sum   'Mo4 O8'
_cell_volume   184.17
_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
  Mo  Mo0  1  0.64  0.67  0.63  1.0
  Mo  Mo1  1  0.98  0.68  0.0  1.0
  Mo  Mo2  1  0.33  0.64  0.63  1.0
  Mo  Mo3  1  0.68  0.64  0.0  1.0
  O  O4  1  0.36  0.59  0.63  1.0
  O  O5  1  0.59  0.64  0.63  1.0
  O  O6  1  0.72  0.67  0.0  1.0
  O  O7  1  0.95  0.72  0.0  1.0
  O  O8  1  0.29  0.71  0.0  1.0
  O  O9  1  0.71  0.34  0.0  1.0
  O  O10  1  0.02  0.6  0.63  1.0
  O  O11  1  0.6  0.98  0.63  1.0

data_MoO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.26
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   87.42
_cell_angle_beta   77.74
_cell_angle_gamma   77.74
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoO2
_chemical_formula_sum   'Mo4 O8'
_cell_volume   184.17
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.3  0.68  0.03  1.0
  Mo  Mo1  2  0.34  0.68  0.3  1.0
  O  O2  2  0.0  0.32  0.62  1.0
  O  O3  2  0.33  0.68  0.05  1.0
  O  O4  2  0.38  0.68  0.57  1.0
  O  O5  2  0.38  0.68  0.24  1.0

Mo Mo Mo Mo O O O O O O O O