data_[Ca3Ce3Ho6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8676]
_cell_length_b [5.8676]
_cell_length_c [15.2151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaCeHo2O6]
_chemical_formula_sum '[Ca3 Ce3 Ho6 O18]'
_cell_volume [453.6560]
_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  0.1963  1.0
  Ce  Ce1  3  0.0000  0.0000  0.6912  1.0
  Ho  Ho2  3  0.0000  0.0000  0.4765  1.0
  Ho  Ho3  3  0.0000  0.0000  0.9777  1.0
  O  O4  9  0.0059  0.3024  0.0806  1.0
  O  O5  9  0.0210  0.7276  0.5850  1.0
]