data_[Ca6Os3Pb3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7636]
_cell_length_b [5.7636]
_cell_length_c [15.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2OsPbO6]
_chemical_formula_sum '[Ca6 Os3 Pb3 O18]'
_cell_volume [447.9852]
_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  0.0139  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5274  1.0
  Os  Os2  3  0.0000  0.0000  0.3232  1.0
  Pb  Pb3  3  0.0000  0.0000  0.7951  1.0
  O  O4  9  0.0534  0.3751  0.9277  1.0
  O  O5  9  0.0683  0.6730  0.0729  1.0
]