data_GaP6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaP6Pd
_chemical_formula_sum   'Ga1 P6 Pd1'
_cell_volume   124.66
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.48  0.48  0.13  1.0
  P  P2  1  0.48  0.48  0.92  1.0
  P  P3  1  0.0  0.48  0.39  1.0
  P  P4  1  0.48  0.0  0.39  1.0
  P  P5  1  0.0  0.48  0.66  1.0
  P  P6  1  0.48  0.0  0.66  1.0
  Pd  Pd7  1  0.0  0.0  0.52  1.0

data_GaP6Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaP6Pd
_chemical_formula_sum   'Ga2 P12 Pd2'
_cell_volume   249.31
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  P  P1  4  0.24  0.24  0.39  1.0
  P  P2  4  0.24  0.24  0.66  1.0
  P  P3  2  0.48  0.0  0.13  1.0
  P  P4  2  0.48  0.0  0.92  1.0
  Pd  Pd5  2  0.0  0.0  0.52  1.0

Ga P P P P P P Pd