data_GeBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   3.39
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBPd2
_chemical_formula_sum   'Ge1 B1 Pd2'
_cell_volume   58.6
_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  0.5  0.69  0.24  1.0
  B  B0  1  0.16  0.0  0.83  1.0
  Pd  Pd2  1  0.08  0.0  0.42  1.0
  Pd  Pd3  1  0.5  0.69  0.74  1.0

data_GeBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.2
_cell_length_c   4.25
_cell_angle_alpha   104.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBPd2
_chemical_formula_sum   'Ge1 B1 Pd2'
_cell_volume   58.6
_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  0.31  0.5  0.76  1.0
  B  B1  1  0.0  0.84  0.17  1.0
  Pd  Pd2  1  0.0  0.92  0.58  1.0
  Pd  Pd3  1  0.31  0.5  0.26  1.0

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