data_[Cs2Ba2Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8387]
_cell_length_b [4.8833]
_cell_length_c [18.4506]
_cell_angle_alpha [88.0645]
_cell_angle_beta [88.5210]
_cell_angle_gamma [66.9138]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsBaTa]
_chemical_formula_sum '[Cs2 Ba2 Ta2]'
_cell_volume [317.9547]
_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
[
  Cs  Cs0  1  0.0344  0.6377  0.6819  1
  Cs  Cs1  1  0.7172  0.1903  0.4346  1
  Ba  Ba2  1  0.3284  0.0820  0.9154  1
  Ba  Ba3  1  0.4602  0.7443  0.2013  1
  Ta  Ta4  1  0.0361  0.6311  0.0448  1
  Ta  Ta5  1  0.7526  0.1949  0.0719  1
]