data_KZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   139.1
_cell_angle_beta   139.1
_cell_angle_gamma   59.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnTe2
_chemical_formula_sum   'K1 Zn1 Te2'
_cell_volume   117.1
_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  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.27  0.83  1.0
  Te  Te1  1  0.27  0.0  0.83  1.0
  Te  Te2  1  0.0  0.0  0.66  1.0

data_KZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.51
_cell_angle_alpha   110.45
_cell_angle_beta   110.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnTe2
_chemical_formula_sum   'K1 Zn1 Te2'
_cell_volume   117.1
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.44  0.27  0.44  1.0
  Te  Te2  1  0.17  0.0  0.44  1.0
  Te  Te3  1  0.34  0.0  0.34  1.0

K Zn Te Te
K Zn Te Te 0 1 o o - 0 3 o o - 0 2 o o - 1 3 o o o 2 3 o o o 