data_[K6Ba4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4583]
_cell_length_b [11.2083]
_cell_length_c [6.5336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ba2MoO6]
_chemical_formula_sum '[K6 Ba4 Mo2 O12]'
_cell_volume [447.1897]
_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  0.0000  0.1549  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  4  0.0000  0.3302  0.0000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.1989  0.1336  0.1955  1.0
  O  O5  4  0.1916  0.0000  0.8175  1.0
]