data_[Cs2Rb2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [6.9937]
_cell_length_b [7.2131]
_cell_length_c [10.2849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsRbMoS4]
_chemical_formula_sum '[Cs2 Rb2 Mo2 S8]'
_cell_volume [488.1076]
_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  0.2480  0.2500  0.9026  1.0
  Rb  Rb1  2  0.3093  0.7500  0.5173  1.0
  Mo  Mo2  2  0.1075  0.2500  0.2805  1.0
  S  S3  4  0.2380  0.0034  0.2169  1.0
  S  S4  2  0.1905  0.2500  0.5083  1.0
  S  S5  2  0.2260  0.7500  0.8206  1.0
]