data_[Na1Al1Mo2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6311]
_cell_length_b [5.6311]
_cell_length_c [6.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaAl(MoO4)2]
_chemical_formula_sum '[Na1 Al1 Mo2 O8]'
_cell_volume [176.7825]
_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  0.0000  0.0000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.3333  0.6667  0.2617  1.0
  O  O3  6  0.1562  0.3124  0.1772  1.0
  O  O4  2  0.3333  0.6667  0.5328  1.0
]