data_K2ZrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.75
_cell_length_b   12.75
_cell_length_c   12.75
_cell_angle_alpha   15.67
_cell_angle_beta   15.67
_cell_angle_gamma   15.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrTe
_chemical_formula_sum   'K2 Zr1 Te1'
_cell_volume   131.66
_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  0.15  1.0
  K  K1  1  0.0  0.0  0.62  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.88  1.0

data_K2ZrTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.47
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   99.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2ZrTe
_chemical_formula_sum   'K4 Zr2 Te2'
_cell_volume   263.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.38  1.0
  K  K1  2  0.0  0.0  0.85  1.0
  Zr  Zr2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.0  0.0  0.12  1.0

K K Zr Te
K K Zr Te 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o - 