data_KZr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   7.85
_cell_angle_alpha   110.68
_cell_angle_beta   110.68
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Cl
_chemical_formula_sum   'K1 Zr2 Cl1'
_cell_volume   118.7
_cell_formula_units_Z   1
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  K1  1  0.37  0.0  0.33  1.0
  Zr  Zr2  1  0.98  0.0  0.72  1.0
  Zr  Zr3  1  0.57  0.0  0.7  1.0
  Cl  Cl0  1  0.59  0.0  0.49  1.0

data_KZr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.39
_cell_length_c   7.8
_cell_angle_alpha   70.41
_cell_angle_beta   78.33
_cell_angle_gamma   72.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Cl
_chemical_formula_sum   'K1 Zr2 Cl1'
_cell_volume   118.7
_cell_formula_units_Z   1
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  1  0.0  0.04  0.33  1.0
  Zr  Zr1  1  0.0  0.26  0.72  1.0
  Zr  Zr2  1  0.0  0.87  0.7  1.0
  Cl  Cl3  1  0.0  0.1  0.49  1.0

K Zr Zr Cl