data_[Na6Mo6]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5424]
_cell_length_b [10.6512]
_cell_length_c [4.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaMo]
_chemical_formula_sum '[Na6 Mo6]'
_cell_volume [252.3053]
_cell_formula_units_Z [6]
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  4  0.0000  0.1748  0.5074  1
  Na  Na1  2  0.0000  0.0000  0.0098  1
  Mo  Mo2  4  0.0000  0.3736  0.0043  1
  Mo  Mo3  2  0.0000  0.5000  0.4633  1
]