data_[Ca6Ni3Rh3O18]
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
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5679]
_cell_length_b [5.5679]
_cell_length_c [13.1559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ca2NiRhO6]
_chemical_formula_sum '[Ca6 Ni3 Rh3 O18]'
_cell_volume [353.2074]
_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  6  0.0000  0.0000  0.2478  1.0
  Ni  Ni1  3  -0.0000  0.0000  0.5000  1.0
  Rh  Rh2  3  0.0000  0.0000  0.0000  1.0
  O  O3  18  0.0124  0.4211  0.7501  1.0
]