data_GeBiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   8.46
_cell_angle_alpha   22.58
_cell_angle_beta   22.58
_cell_angle_gamma   22.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiPd2
_chemical_formula_sum   'Ge1 Bi1 Pd2'
_cell_volume   78.34
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.36  1.0
  Pd  Pd2  1  0.0  0.0  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.51  1.0

data_GeBiPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.31
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeBiPd2
_chemical_formula_sum   'Ge2 Bi2 Pd4'
_cell_volume   156.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.64  1.0
  Pd  Pd2  2  0.0  0.0  0.78  1.0
  Pd  Pd3  2  0.0  0.0  0.49  1.0

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