data_[K2Ta2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9914]
_cell_length_b [7.2642]
_cell_length_c [18.7293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTaCl3]
_chemical_formula_sum '[K2 Ta2 Cl6]'
_cell_volume [1631.4790]
_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
[
  K  K0  2  0.4492  0.5000  0.4936  1
  Ta  Ta1  2  0.2507  0.0000  0.5106  1
  Cl  Cl2  4  0.2551  0.2475  0.4322  1
  Cl  Cl3  2  0.2409  0.0000  0.6314  1
]