data_KZnCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   149.29
_cell_angle_beta   149.29
_cell_angle_gamma   43.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnCuTe2
_chemical_formula_sum   'K1 Zn1 Cu1 Te2'
_cell_volume   139.71
_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  0.0  0.15  0.77  1.0
  Cu  Cu2  1  0.15  0.0  0.77  1.0
  Te  Te3  1  0.0  0.0  0.66  1.0
  Te  Te4  1  0.0  0.0  0.41  1.0

data_KZnCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   8.13
_cell_angle_alpha   105.35
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnCuTe2
_chemical_formula_sum   'K1 Zn1 Cu1 Te2'
_cell_volume   139.71
_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  0.38  0.15  0.38  1.0
  Cu  Cu2  1  0.23  0.0  0.38  1.0
  Te  Te3  1  0.34  0.0  0.34  1.0
  Te  Te4  1  0.59  0.0  0.59  1.0

K Zn Cu Te Te
K Zn Cu Te Te 0 1 o o - 0 3 o o - 0 2 o o - 0 4 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 