data_KNi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.52
_cell_angle_alpha   110.97
_cell_angle_beta   110.97
_cell_angle_gamma   58.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Te
_chemical_formula_sum   'K1 Ni2 Te1'
_cell_volume   95.9
_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
  Ni  Ni1  1  0.92  0.0  0.22  1.0
  Ni  Ni2  1  0.96  0.0  0.72  1.0
  Te  Te3  1  0.44  0.0  0.97  1.0

data_KNi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.34
_cell_length_c   6.41
_cell_angle_alpha   71.76
_cell_angle_beta   70.6
_cell_angle_gamma   60.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Te
_chemical_formula_sum   'K1 Ni2 Te1'
_cell_volume   95.9
_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
  Ni  Ni1  1  0.0  0.24  0.72  1.0
  Ni  Ni2  1  0.0  0.7  0.22  1.0
  Te  Te3  1  0.0  0.47  0.97  1.0

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