data_[Cs2Na2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [6.7250]
_cell_length_b [7.1442]
_cell_length_c [9.5921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaMoS4]
_chemical_formula_sum '[Cs2 Na2 Mo2 S8]'
_cell_volume [438.2201]
_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
[
  Cs  Cs0  2  0.2806  0.2500  0.0734  1.0
  Na  Na1  2  0.2271  0.2500  0.5440  1.0
  Mo  Mo2  2  0.2070  0.7500  0.3253  1.0
  S  S3  4  0.0004  0.5021  0.2838  1.0
  S  S4  2  0.4009  0.7500  0.5548  1.0
  S  S5  2  0.4017  0.7500  0.1764  1.0
]