data_[Ca3Tb3In12O24]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.6680]
_cell_length_b [6.6680]
_cell_length_c [16.5950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaTbIn4O8]
_chemical_formula_sum '[Ca3 Tb3 In12 O24]'
_cell_volume [638.9984]
_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  0.6241  1.0
  Tb  Tb1  3  0.0000  0.0000  0.9985  1.0
  In  In2  9  0.0032  0.5016  0.5005  1.0
  In  In3  3  0.0000  0.0000  0.3752  1.0
  O  O4  9  0.0226  0.5113  0.7560  1.0
  O  O5  9  0.1829  0.3658  0.5771  1.0
  O  O6  3  0.0000  0.0000  0.2371  1.0
  O  O7  3  0.0000  0.0000  0.7644  1.0
]