data_GePdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   147.13
_cell_angle_beta   147.13
_cell_angle_gamma   47.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePdBr
_chemical_formula_sum   'Ge1 Pd1 Br1'
_cell_volume   66.06
_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  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.67  1.0
  Br  Br0  1  0.0  0.0  0.36  1.0

data_GePdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   113.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GePdBr
_chemical_formula_sum   'Ge2 Pd2 Br2'
_cell_volume   132.13
_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  0.12  0.0  0.12  1.0
  Pd  Pd1  2  0.17  0.5  0.67  1.0
  Br  Br2  2  0.36  0.0  0.36  1.0

Ge Pd Br