data_KZnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   5.13
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnSb2
_chemical_formula_sum   'K1 Zn1 Sb2'
_cell_volume   119.21
_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  0.57  0.0  0.26  1.0
  Zn  Zn3  1  0.89  0.56  0.17  1.0
  Sb  Sb1  1  0.61  0.56  0.24  1.0
  Sb  Sb2  1  0.57  0.0  0.91  1.0

data_KZnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.13
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnSb2
_chemical_formula_sum   'K1 Zn1 Sb2'
_cell_volume   119.21
_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  0.57  0.0  0.26  1.0
  Zn  Zn1  1  0.89  0.56  0.17  1.0
  Sb  Sb2  1  0.57  0.0  0.91  1.0
  Sb  Sb3  1  0.61  0.56  0.24  1.0

K Zn Sb Sb
K Zn Sb Sb 0 2 o - o 0 1 o - o 0 3 o o - 1 2 o o o 1 3 o + - 2 3 o + - 3 3 + o o 