data_[Na3Mo3P6O18]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2078]
_cell_length_b [5.2078]
_cell_length_c [17.3975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaMo(PO3)2]
_chemical_formula_sum '[Na3 Mo3 P6 O18]'
_cell_volume [408.6306]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Mo  Mo1  3  -0.0000  0.0000  0.5000  1
  P  P2  6  0.0000  0.0000  0.2623  1
  O  O3  18  0.0262  0.3004  0.2397  1
]