data_NiGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.95
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   94.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Pd
_chemical_formula_sum   'Ni1 Ge2 Pd1'
_cell_volume   60.09
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.41  0.97  0.02  1.0
  Ge  Ge1  1  0.12  0.97  0.21  1.0
  Pd  Pd3  1  0.26  0.0  0.61  1.0

data_NiGe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.95
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   94.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Pd
_chemical_formula_sum   'Ni1 Ge2 Pd1'
_cell_volume   60.09
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.12  0.97  0.21  1.0
  Ge  Ge2  1  0.41  0.97  0.02  1.0
  Pd  Pd3  1  0.26  0.0  0.61  1.0

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