data_[Cs1Ba1Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9831]
_cell_length_b [5.9010]
_cell_length_c [6.0364]
_cell_angle_alpha [61.9665]
_cell_angle_beta [85.5045]
_cell_angle_gamma [87.2166]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsBaOsO6]
_chemical_formula_sum '[Cs1 Ba1 Os1 O6]'
_cell_volume [156.1822]
_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
[
  Cs  Cs0  1  0.2546  0.3492  0.3288  1
  Ba  Ba1  1  0.8231  0.0138  0.9999  1
  Os  Os2  1  0.5543  0.6903  0.6663  1
  O  O3  1  0.3058  0.8291  0.8021  1
  O  O4  1  0.3714  0.3610  0.8097  1
  O  O5  1  0.3850  0.8117  0.3691  1
  O  O6  1  0.7507  0.5638  0.9506  1
  O  O7  1  0.7508  0.4428  0.5759  1
  O  O8  1  0.8042  0.9382  0.4977  1
]