data_KAg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2Pd
_chemical_formula_sum   'K1 Ag2 Pd1'
_cell_volume   85.26
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.21  0.19  1.0
  Ag  Ag1  1  0.21  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.0  0.38  1.0

data_KAg2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   125.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAg2Pd
_chemical_formula_sum   'K2 Ag4 Pd2'
_cell_volume   170.53
_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
  Ag  Ag1  4  0.4  0.4  0.98  1.0
  Pd  Pd2  2  0.0  0.0  0.38  1.0

K Ag Ag Pd
K Ag Ag Pd 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 