data_[K4Na8Mo4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Fmm2]
_cell_length_a [10.1692]
_cell_length_b [10.3391]
_cell_length_c [8.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [KNa2MoS4]
_chemical_formula_sum '[K4 Na8 Mo4 S16]'
_cell_volume [881.5574]
_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
[
  K  K0  4  0.0000  0.0000  0.0002  1.0
  Na  Na1  8  0.2500  0.2500  0.2433  1.0
  Mo  Mo2  4  0.0000  0.0000  0.5017  1.0
  S  S3  8  0.0000  0.1805  0.3512  1.0
  S  S4  8  0.1822  0.0000  0.6544  1.0
]