data_[K2Mo2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7378]
_cell_length_b [5.8382]
_cell_length_c [6.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMoO3]
_chemical_formula_sum '[K2 Mo2 O6]'
_cell_volume [167.8326]
_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  0.2162  0.7500  0.9182  1.0
  Mo  Mo1  2  0.3879  0.2500  0.5135  1.0
  O  O2  4  0.4170  0.0087  0.2876  1.0
  O  O3  2  0.0284  0.2500  0.5345  1.0
]