data_[Cu2Os2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pnc2]
_cell_length_a [5.0396]
_cell_length_b [4.5185]
_cell_length_c [5.6931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [CuOsO4]
_chemical_formula_sum '[Cu2 Os2 O8]'
_cell_volume [129.6396]
_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
[
  Cu  Cu0  2  0.5000  0.0000  0.1735  1.0
  Os  Os1  2  0.0000  0.0000  0.8372  1.0
  O  O2  4  0.1575  0.7463  0.6105  1.0
  O  O3  4  0.3040  0.2172  0.8841  1.0
]