data_[K2Ba2Mo2O8]
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 [P2_1/m]
_cell_length_a [7.0103]
_cell_length_b [6.2672]
_cell_length_c [7.9030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBaMoO4]
_chemical_formula_sum '[K2 Ba2 Mo2 O8]'
_cell_volume [347.0339]
_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  0.3850  0.2500  0.8578  1.0
  Ba  Ba1  2  0.1690  0.2500  0.4018  1.0
  Mo  Mo2  2  0.3310  0.7500  0.6394  1.0
  O  O3  4  0.1565  0.5191  0.6598  1.0
  O  O4  2  0.4107  0.7500  0.4213  1.0
  O  O5  2  0.4853  0.2500  0.1858  1.0
]