data_[Nb2Mo1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8937]
_cell_length_b [4.0472]
_cell_length_c [10.4626]
_cell_angle_alpha [89.5669]
_cell_angle_beta [79.2797]
_cell_angle_gamma [89.7862]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb2MoO8]
_chemical_formula_sum '[Nb2 Mo1 O8]'
_cell_volume [161.9955]
_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
[
  Nb  Nb0  1  0.1675  0.0554  0.6315  1.0
  Nb  Nb1  1  0.7991  0.9225  0.3685  1.0
  Mo  Mo2  1  0.0641  0.0689  0.0004  1.0
  O  O3  1  0.0302  0.5006  0.0003  1.0
  O  O4  1  0.0868  0.9970  0.8173  1.0
  O  O5  1  0.1659  0.5010  0.6306  1.0
  O  O6  1  0.2744  0.9836  0.4182  1.0
  O  O7  1  0.5173  0.0113  0.0002  1.0
  O  O8  1  0.6928  0.9947  0.5814  1.0
  O  O9  1  0.7975  0.4771  0.3687  1.0
  O  O10  1  0.9044  0.9880  0.1829  1.0
]