data_[Na1Y2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6356]
_cell_length_b [5.6869]
_cell_length_c [5.9819]
_cell_angle_alpha [61.7200]
_cell_angle_beta [62.8053]
_cell_angle_gamma [60.3828]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaY2MoO6]
_chemical_formula_sum '[Na1 Y2 Mo1 O6]'
_cell_volume [140.4174]
_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  1  0.8048  0.8005  0.6013  1.0
  Y  Y1  1  0.0247  0.0110  0.9420  1.0
  Y  Y2  1  0.5290  0.5300  0.4234  1.0
  Mo  Mo3  1  0.3210  0.3225  0.0376  1.0
  O  O4  1  0.1467  0.3935  0.7766  1.0
  O  O5  1  0.2253  0.9585  0.2362  1.0
  O  O6  1  0.3973  0.6929  0.7644  1.0
  O  O7  1  0.5662  0.2349  0.2291  1.0
  O  O8  1  0.6888  0.1415  0.7713  1.0
  O  O9  1  0.9578  0.5763  0.2334  1.0
]