data_[Na2V1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.4873]
_cell_length_b [5.4873]
_cell_length_c [3.9274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Na2VMoO6]
_chemical_formula_sum '[Na2 V1 Mo1 O6]'
_cell_volume [118.2589]
_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
[
  Na  Na0  2  0.0000  0.5000  0.1366  1.0
  V  V1  1  0.5000  0.5000  0.5987  1.0
  Mo  Mo2  1  0.0000  0.0000  0.6595  1.0
  O  O3  4  0.2468  0.2468  0.6518  1.0
  O  O4  1  0.0000  0.0000  0.1515  1.0
  O  O5  1  0.5000  0.5000  0.1567  1.0
]