data_Ge2BiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiPd
_chemical_formula_sum   'Ge2 Bi1 Pd1'
_cell_volume   83.35
_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  0.29  1.0
  Ge  Ge2  1  0.27  0.0  0.61  1.0
  Bi  Bi0  1  0.27  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.0  0.18  1.0

data_Ge2BiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiPd
_chemical_formula_sum   'Ge2 Bi1 Pd1'
_cell_volume   83.35
_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  0.29  1.0
  Ge  Ge1  1  0.27  0.0  0.61  1.0
  Bi  Bi2  1  0.27  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.0  0.18  1.0

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