data_[Na12Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.7988]
_cell_length_b [7.5415]
_cell_length_c [5.5749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na3MoO4]
_chemical_formula_sum '[Na12 Mo4 O16]'
_cell_volume [496.0594]
_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
[
  Na  Na0  8  0.1648  0.5021  0.8143  1
  Na  Na1  4  0.0776  0.7500  0.2320  1
  Mo  Mo2  4  0.0877  0.2500  0.3141  1
  O  O3  8  0.1479  0.0330  0.2275  1
  O  O4  4  0.0562  0.7500  0.8151  1
  O  O5  4  0.1091  0.2500  0.6417  1
]