data_K4Zr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   10.29
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Zr5
_chemical_formula_sum   'K8 Zr10'
_cell_volume   556.43
_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  1  0.0  0.0  0.03  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.42  0.47  0.55  1.0
  K  K3  1  0.44  0.0  0.55  1.0
  K  K4  1  0.28  0.44  0.55  1.0
  K  K5  1  0.72  0.44  0.52  1.0
  K  K6  1  0.85  0.0  0.52  1.0
  K  K7  1  0.58  0.47  0.52  1.0
  Zr  Zr8  1  0.96  0.12  0.55  1.0
  Zr  Zr9  1  0.38  0.0  0.55  1.0
  Zr  Zr10  1  0.81  0.79  0.55  1.0
  Zr  Zr11  1  0.19  0.79  0.52  1.0
  Zr  Zr12  1  0.91  0.0  0.52  1.0
  Zr  Zr13  1  0.04  0.12  0.52  1.0
  Zr  Zr14  1  0.0  0.94  0.03  1.0
  Zr  Zr15  1  0.15  0.97  0.0  1.0
  Zr  Zr16  1  0.15  0.97  0.03  1.0
  Zr  Zr17  1  0.0  0.94  0.0  1.0

data_K4Zr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   10.29
_cell_length_c   10.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Zr5
_chemical_formula_sum   'K8 Zr10'
_cell_volume   556.43
_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  1  0.0  0.0  0.0  1.0
  K  K1  1  0.03  0.0  0.0  1.0
  K  K2  1  0.52  0.58  0.47  1.0
  K  K3  1  0.52  0.72  0.44  1.0
  K  K4  1  0.52  0.85  0.0  1.0
  K  K5  1  0.55  0.28  0.44  1.0
  K  K6  1  0.55  0.42  0.47  1.0
  K  K7  1  0.55  0.44  0.0  1.0
  Zr  Zr8  1  -0.0  0.15  0.97  1.0
  Zr  Zr9  1  0.0  0.0  0.94  1.0
  Zr  Zr10  1  0.03  0.0  0.94  1.0
  Zr  Zr11  1  0.03  0.15  0.97  1.0
  Zr  Zr12  1  0.52  0.04  0.12  1.0
  Zr  Zr13  1  0.52  0.19  0.79  1.0
  Zr  Zr14  1  0.52  0.91  0.0  1.0
  Zr  Zr15  1  0.55  0.38  0.0  1.0
  Zr  Zr16  1  0.55  0.81  0.79  1.0
  Zr  Zr17  1  0.55  0.96  0.12  1.0

K K K K K K K K Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr