data_[Na1Mo3S5]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6421]
_cell_length_b [5.6421]
_cell_length_c [6.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [NaMo3S5]
_chemical_formula_sum '[Na1 Mo3 S5]'
_cell_volume [192.7568]
_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  0.0000  1
  Mo  Mo1  3  0.0000  0.5000  0.5000  1
  S  S2  4  0.3333  0.6667  0.2399  1
  S  S3  1  0.0000  0.0000  0.5000  1
]