data_[Ca3Ni6Os3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2936]
_cell_length_b [5.2936]
_cell_length_c [14.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaNi2OsO6]
_chemical_formula_sum '[Ca3 Ni6 Os3 O18]'
_cell_volume [349.4456]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4902  1.0
  Ni  Ni1  3  0.0000  0.0000  0.2051  1.0
  Ni  Ni2  3  0.0000  0.0000  0.6976  1.0
  Os  Os3  3  0.0000  0.0000  0.0055  1.0
  O  O4  9  0.0192  0.3443  0.6062  1.0
  O  O5  9  0.0715  0.7031  0.7612  1.0
]