data_GeTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   30.65
_cell_angle_beta   30.65
_cell_angle_gamma   30.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTePd2
_chemical_formula_sum   'Ge1 Te1 Pd2'
_cell_volume   83.68
_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  0.53  1.0
  Te  Te3  1  0.0  0.0  0.91  1.0
  Pd  Pd1  1  0.0  0.0  0.3  1.0
  Pd  Pd2  1  0.0  0.0  0.22  1.0

data_GeTePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   3.77
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeTePd2
_chemical_formula_sum   'Ge2 Te2 Pd4'
_cell_volume   167.37
_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  0.47  1.0
  Te  Te1  2  0.0  0.0  0.09  1.0
  Pd  Pd2  2  0.0  0.0  0.7  1.0
  Pd  Pd3  2  0.0  0.0  0.78  1.0

Ge Te Pd Pd
Ge Te Pd Pd 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 