data_[Ca3Tb6Zr3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7707]
_cell_length_b [5.7707]
_cell_length_c [15.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaTb2ZrO6]
_chemical_formula_sum '[Ca3 Tb6 Zr3 O18]'
_cell_volume [436.0623]
_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  0.1951  1.0
  Tb  Tb1  3  0.0000  0.0000  0.4742  1.0
  Tb  Tb2  3  0.0000  0.0000  0.9757  1.0
  Zr  Zr3  3  0.0000  0.0000  0.6868  1.0
  O  O4  9  0.0067  0.7244  0.5875  1.0
  O  O5  9  0.0375  0.3436  0.7480  1.0
]