data_ZrGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.81
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Pd
_chemical_formula_sum   'Zr1 Ge2 Pd1'
_cell_volume   71.24
_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
  Zr  Zr3  1  0.0  0.0  0.42  1.0
  Ge  Ge0  1  0.64  0.9  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Pd  Pd2  1  0.64  0.9  0.67  1.0

data_ZrGe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.81
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Pd
_chemical_formula_sum   'Zr1 Ge2 Pd1'
_cell_volume   71.24
_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
  Zr  Zr0  1  0.0  0.0  0.42  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Ge  Ge2  1  0.64  0.9  0.66  1.0
  Pd  Pd3  1  0.64  0.9  0.67  1.0

Zr Ge Ge Pd
Zr Ge Ge Pd 0 2 o o o 1 3 o o o 