data_KTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   129.11
_cell_angle_beta   116.14
_cell_angle_gamma   85.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTePd2
_chemical_formula_sum   'K1 Te1 Pd2'
_cell_volume   95.8
_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
  Te  Te3  1  0.0  0.0  0.84  1.0
  Pd  Pd1  1  0.0  0.77  0.49  1.0
  Pd  Pd2  1  0.25  0.0  0.35  1.0

data_KTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   63.86
_cell_angle_beta   64.55
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTePd2
_chemical_formula_sum   'K1 Te1 Pd2'
_cell_volume   95.8
_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
  Te  Te1  1  0.0  -0.0  0.84  1.0
  Pd  Pd2  1  0.0  0.75  0.35  1.0
  Pd  Pd3  1  0.77  0.0  0.72  1.0

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