data_[K4Rb2Mo2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8197]
_cell_length_b [8.2547]
_cell_length_c [13.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2RbMoBr6]
_chemical_formula_sum '[K4 Rb2 Mo2 Br12]'
_cell_volume [732.5539]
_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  4  0.2111  0.5867  0.7417  1.0
  Rb  Rb1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0815  0.7279  0.4318  1.0
  Br  Br4  4  0.2069  0.1641  0.4331  1.0
  Br  Br5  4  0.3373  0.5386  0.2103  1.0
]