data_[K2Ba1Re1O6]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2128]
_cell_length_b [6.2480]
_cell_length_c [6.3523]
_cell_angle_alpha [90.8887]
_cell_angle_beta [118.9260]
_cell_angle_gamma [119.2892]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2BaReO6]
_chemical_formula_sum '[K2 Ba1 Re1 O6]'
_cell_volume [177.6661]
_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  1  0.8813  0.9320  0.0742  1.0
  K  K1  1  0.8830  0.4443  0.5371  1.0
  Ba  Ba2  1  0.3699  0.1757  0.8086  1.0
  Re  Re3  1  0.3622  0.6874  0.2925  1.0
  O  O4  1  0.2920  0.4578  0.0467  1.0
  O  O5  1  0.3551  0.4590  0.5087  1.0
  O  O6  1  0.3878  0.9639  0.1803  1.0
  O  O7  1  0.4206  0.8414  0.6116  1.0
  O  O8  1  0.7761  0.8553  0.4688  1.0
  O  O9  1  0.9488  0.5217  0.1329  1.0
]