data_[Ca2Cu2Os4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [C2/m]
_cell_length_a [7.0247]
_cell_length_b [6.6828]
_cell_length_c [6.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCu(OsO4)2]
_chemical_formula_sum '[Ca2 Cu2 Os4 O16]'
_cell_volume [292.8809]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Os  Os2  4  0.0068  0.5000  0.7610  1
  O  O3  8  0.0162  0.2282  0.2317  1
  O  O4  4  0.1684  0.5000  0.5105  1
  O  O5  4  0.1924  0.5000  0.9972  1
]