data_[Cs4Ba4Ta4]
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 [Pnma]
_cell_length_a [11.4483]
_cell_length_b [4.5235]
_cell_length_c [14.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsBaTa]
_chemical_formula_sum '[Cs4 Ba4 Ta4]'
_cell_volume [747.2710]
_cell_formula_units_Z [4]
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  4  0.1923  0.7500  0.5138  1
  Ba  Ba1  4  0.0194  0.7500  0.2051  1
  Ta  Ta2  4  0.0284  0.7500  0.9703  1
]