data_[Cs8Zr4Ta4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3386]
_cell_length_b [10.3386]
_cell_length_c [10.3386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Cs2ZrTaCl6]
_chemical_formula_sum '[Cs8 Zr4 Ta4 Cl24]'
_cell_volume [1105.0638]
_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  8  0.2500  0.2500  0.2500  1
  Zr  Zr1  4  0.0000  0.0000  0.5000  1
  Ta  Ta2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  24  0.0000  0.0000  0.2458  1
]