data_KAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.33
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2Pd
_chemical_formula_sum   'K1 As2 Pd1'
_cell_volume   89.27
_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
  As  As0  1  0.52  0.17  0.7  1.0
  As  As1  1  0.52  0.17  0.09  1.0
  Pd  Pd3  1  0.52  0.0  0.4  1.0

data_KAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.33
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2Pd
_chemical_formula_sum   'K1 As2 Pd1'
_cell_volume   89.27
_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
  As  As1  1  0.52  0.17  0.09  1.0
  As  As2  1  0.52  0.17  0.7  1.0
  Pd  Pd3  1  0.52  0.0  0.4  1.0

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