data_GeP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   124.99
_cell_angle_beta   124.99
_cell_angle_gamma   81.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Pd
_chemical_formula_sum   'Ge1 P2 Pd1'
_cell_volume   63.3
_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  0.0  1.0
  P  P1  1  0.13  0.0  0.75  1.0
  P  P2  1  0.0  0.13  0.75  1.0
  Pd  Pd3  1  0.0  0.0  0.49  1.0

data_GeP2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   130.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeP2Pd
_chemical_formula_sum   'Ge2 P4 Pd2'
_cell_volume   126.6
_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
  P  P1  4  0.44  0.44  0.62  1.0
  Pd  Pd2  2  0.0  0.0  0.49  1.0

Ge P P Pd
Ge P P Pd 0 2 o o - 0 1 o o - 1 2 o o o 1 3 o o o 2 3 o o o 