data_[Cs3Tb1P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8338]
_cell_length_b [5.8338]
_cell_length_c [8.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Tb(PO4)2]
_chemical_formula_sum '[Cs3 Tb1 P2 O8]'
_cell_volume [257.0034]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.2282  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3333  0.6667  0.7079  1.0
  O  O4  6  0.1872  0.3744  0.6476  1.0
  O  O5  2  0.3333  0.6667  0.8846  1.0
]