data_[Rb2Ba2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.2667]
_cell_length_b [6.8705]
_cell_length_c [9.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbBaMoS4]
_chemical_formula_sum '[Rb2 Ba2 Mo2 S8]'
_cell_volume [449.5890]
_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
[
  Rb  Rb0  2  0.2824  0.2500  0.0656  1
  Ba  Ba1  2  0.2379  0.2500  0.5499  1
  Mo  Mo2  2  0.2057  0.7500  0.3039  1
  S  S3  4  0.0072  0.0065  0.2613  1
  S  S4  2  0.3686  0.7500  0.5473  1
  S  S5  2  0.4037  0.7500  0.1585  1
]