data_[Na2Mo6Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9739]
_cell_length_b [7.0979]
_cell_length_c [7.1048]
_cell_angle_alpha [88.8300]
_cell_angle_beta [84.1372]
_cell_angle_gamma [80.8920]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaMo3Se4]
_chemical_formula_sum '[Na2 Mo6 Se8]'
_cell_volume [345.4322]
_cell_formula_units_Z [2]
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  2  0.2812  0.0132  0.9206  1.0
  Mo  Mo1  2  0.0350  0.5856  0.7504  1.0
  Mo  Mo2  2  0.1024  0.2506  0.5581  1.0
  Mo  Mo3  2  0.2617  0.5445  0.4077  1.0
  Se  Se4  2  0.1090  0.7117  0.1112  1.0
  Se  Se5  2  0.1975  0.8566  0.5849  1.0
  Se  Se6  2  0.3176  0.2280  0.2386  1.0
  Se  Se7  2  0.3757  0.3784  0.7224  1.0
]