data_[Sr3Ca6Os3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7836]
_cell_length_b [5.7836]
_cell_length_c [15.1348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrCa2OsO6]
_chemical_formula_sum '[Sr3 Ca6 Os3 O18]'
_cell_volume [438.4390]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.8070  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0237  1.0
  Ca  Ca2  3  0.0000  0.0000  0.5307  1.0
  Os  Os3  3  0.0000  0.0000  0.3226  1.0
  O  O4  9  0.0033  0.7370  0.4045  1.0
  O  O5  9  0.0647  0.3659  0.9214  1.0
]