data_GaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   135.77
_cell_angle_beta   135.77
_cell_angle_gamma   64.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePd2
_chemical_formula_sum   'Ga1 Ge1 Pd2'
_cell_volume   62.5
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.91  0.0  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.29  1.0
  Pd  Pd3  1  0.0  0.91  0.15  1.0

data_GaGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.07
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGePd2
_chemical_formula_sum   'Ga1 Ge1 Pd2'
_cell_volume   62.5
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.15  0.24  0.24  1.0
  Pd  Pd2  1  0.24  0.15  0.24  1.0
  Pd  Pd3  1  0.29  0.29  0.29  1.0

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