data_[K2Hf1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7137]
_cell_length_b [5.7137]
_cell_length_c [4.1593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2HfMoO6]
_chemical_formula_sum '[K2 Hf1 Mo1 O6]'
_cell_volume [135.7855]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1352  1.0
  Hf  Hf1  1  0.5000  0.5000  0.6502  1.0
  Mo  Mo2  1  0.0000  0.0000  0.5977  1.0
  O  O3  4  0.2374  0.2374  0.6528  1.0
  O  O4  1  0.0000  0.0000  0.1638  1.0
  O  O5  1  0.5000  0.5000  0.1534  1.0
]