data_[Sr2Cu1Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4389]
_cell_length_b [5.5024]
_cell_length_c [5.7372]
_cell_angle_alpha [61.3552]
_cell_angle_beta [62.6169]
_cell_angle_gamma [89.9581]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2CuOsO6]
_chemical_formula_sum '[Sr2 Cu1 Os1 O6]'
_cell_volume [128.3661]
_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
[
  Sr  Sr0  1  0.2459  0.7614  0.4826  1.0
  Sr  Sr1  1  0.7479  0.2558  0.4827  1.0
  Cu  Cu2  1  0.0153  0.0230  0.9496  1.0
  Os  Os3  1  0.4995  0.4993  0.9977  1.0
  O  O4  1  0.1940  0.2631  0.0582  1.0
  O  O5  1  0.2723  0.3199  0.4627  1.0
  O  O6  1  0.3246  0.8061  0.9693  1.0
  O  O7  1  0.6777  0.1880  0.0651  1.0
  O  O8  1  0.7128  0.6829  0.5567  1.0
  O  O9  1  0.8101  0.7006  0.9754  1.0
]