data_GeAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.7
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsPd2
_chemical_formula_sum   'Ge1 As1 Pd2'
_cell_volume   66.83
_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
  Ge  Ge1  1  0.0  0.0  0.17  1.0
  As  As0  1  0.72  0.85  0.38  1.0
  Pd  Pd2  1  0.72  0.85  0.06  1.0
  Pd  Pd3  1  0.0  0.0  0.52  1.0

data_GeAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.7
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsPd2
_chemical_formula_sum   'Ge1 As1 Pd2'
_cell_volume   66.83
_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
  Ge  Ge0  1  0.0  0.0  0.17  1.0
  As  As1  1  0.72  0.85  0.38  1.0
  Pd  Pd2  1  0.0  0.0  0.52  1.0
  Pd  Pd3  1  0.72  0.85  0.06  1.0

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