data_[Ca2Tb8Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.8976]
_cell_length_b [8.8976]
_cell_length_c [5.6070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ca(TbRh)4]
_chemical_formula_sum '[Ca2 Tb8 Rh8]'
_cell_volume [443.8909]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Tb  Tb1  8  0.0899  0.3228  0.5943  1
  Rh  Rh2  8  0.1285  0.2854  0.0961  1
]