data_[K2Zr2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.5594]
_cell_length_b [3.3497]
_cell_length_c [4.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KZrCl2]
_chemical_formula_sum '[K2 Zr2 Cl4]'
_cell_volume [213.4555]
_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  0.4596  0.0000  0.6174  1
  Zr  Zr1  2  0.2231  0.5000  0.1291  1
  Cl  Cl2  2  0.0693  0.0000  0.1226  1
  Cl  Cl3  2  0.2479  0.0000  0.6309  1
]