data_[K12Al6Mo6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7118]
_cell_length_b [5.7118]
_cell_length_c [27.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2AlMoO6]
_chemical_formula_sum '[K12 Al6 Mo6 O36]'
_cell_volume [787.2851]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1297  1
  K  K1  6  0.0000  0.0000  0.2826  1
  Al  Al2  6  0.0000  0.0000  0.4037  1
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1
  Mo  Mo4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0036  0.5018  0.7058  1
  O  O6  18  0.0365  0.5183  0.1214  1
]