data_KZrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19
_cell_length_b   9.19
_cell_length_c   9.19
_cell_angle_alpha   22.15
_cell_angle_beta   22.15
_cell_angle_gamma   22.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrPd2
_chemical_formula_sum   'K1 Zr1 Pd2'
_cell_volume   96.87
_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
  Zr  Zr3  1  0.0  0.0  0.45  1.0
  Pd  Pd1  1  0.0  0.0  0.26  1.0
  Pd  Pd2  1  0.0  0.0  0.64  1.0

data_KZrPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KZrPd2
_chemical_formula_sum   'K2 Zr2 Pd4'
_cell_volume   193.74
_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  0.0  1.0
  Zr  Zr1  2  -0.0  0.0  0.55  1.0
  Pd  Pd2  2  -0.0  0.0  0.74  1.0
  Pd  Pd3  2  -0.0  0.0  0.36  1.0

K Zr Pd Pd