data_[Cs2Ba2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  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 [7.3146]
_cell_length_b [6.9643]
_cell_length_c [9.7238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaMoS4]
_chemical_formula_sum '[Cs2 Ba2 Mo2 S8]'
_cell_volume [474.5762]
_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  0.2824  0.2500  0.0659  1
  Ba  Ba1  2  0.2396  0.2500  0.5493  1
  Mo  Mo2  2  0.2053  0.7500  0.3145  1
  S  S3  4  0.0087  0.0041  0.2738  1
  S  S4  2  0.3725  0.7500  0.5482  1
  S  S5  2  0.3986  0.7500  0.1717  1
]