data_[K2Rb2Mo2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.7812]
_cell_length_b [7.0467]
_cell_length_c [9.7980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KRbMoS4]
_chemical_formula_sum '[K2 Rb2 Mo2 S8]'
_cell_volume [440.0823]
_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
[
  K  K0  2  0.2068  0.2500  0.5193  1.0
  Rb  Rb1  2  0.3393  0.2500  0.0966  1.0
  Mo  Mo2  2  0.1798  0.7500  0.2824  1.0
  S  S3  4  0.0227  0.5013  0.7830  1.0
  S  S4  2  0.3306  0.7500  0.5205  1.0
  S  S5  2  0.4152  0.7500  0.1731  1.0
]