data_[Cs1Ta1P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.1971]
_cell_length_b [5.1971]
_cell_length_c [9.1185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsTa(PO4)2]
_chemical_formula_sum '[Cs1 Ta1 P2 O8]'
_cell_volume [213.2920]
_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  1  0.0000  0.0000  0.5000  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  P  P2  2  0.3333  0.6667  0.1932  1.0
  O  O3  6  0.1250  0.3516  0.1263  1.0
  O  O4  2  0.3333  0.6667  0.3568  1.0
]