data_KCo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   151.67
_cell_angle_beta   125.63
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Pd
_chemical_formula_sum   'K1 Co2 Pd1'
_cell_volume   71.96
_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  K2  1  0.0  0.0  0.84  1.0
  Co  Co0  1  0.0  0.0  0.16  1.0
  Co  Co1  1  0.4  0.0  0.92  1.0
  Pd  Pd3  1  0.0  0.62  0.88  1.0

data_KCo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.24
_cell_length_c   5.73
_cell_angle_alpha   117.18
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Pd
_chemical_formula_sum   'K1 Co2 Pd1'
_cell_volume   71.96
_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  0.16  0.16  0.16  1.0
  Co  Co1  1  0.48  0.08  0.48  1.0
  Co  Co2  1  0.84  0.84  0.84  1.0
  Pd  Pd3  1  0.12  0.74  0.74  1.0

K Co Co Pd
K Co Co Pd 0 2 o o o 0 1 o o + 1 3 o - - 