data_Pr5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   14.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Ga3
_chemical_formula_sum   'Pr20 Ga12'
_cell_volume   935.33
_cell_formula_units_Z   4
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
  Pr  Pr0  1  0.5  0.7  0.88  1.0
  Pr  Pr1  1  0.47  0.7  0.52  1.0
  Pr  Pr2  1  0.27  0.5  0.84  1.0
  Pr  Pr3  1  0.0  0.99  0.59  1.0
  Pr  Pr4  1  0.7  0.47  0.84  1.0
  Pr  Pr5  1  0.46  0.26  0.84  1.0
  Pr  Pr6  1  0.26  0.52  0.88  1.0
  Pr  Pr7  1  0.71  0.46  0.88  1.0
  Pr  Pr8  1  0.0  0.99  0.23  1.0
  Pr  Pr9  1  0.26  0.46  0.52  1.0
  Pr  Pr10  1  0.46  0.71  0.2  1.0
  Pr  Pr11  1  0.7  0.5  0.2  1.0
  Pr  Pr12  1  0.52  0.71  0.84  1.0
  Pr  Pr13  1  0.47  0.27  0.88  1.0
  Pr  Pr14  1  0.5  0.27  0.52  1.0
  Pr  Pr15  1  0.52  0.26  0.2  1.0
  Pr  Pr16  1  0.71  0.52  0.52  1.0
  Pr  Pr17  1  0.99  0.0  0.13  1.0
  Pr  Pr18  1  0.27  0.47  0.2  1.0
  Pr  Pr19  1  0.99  0.0  0.49  1.0
  Ga  Ga20  1  0.93  0.04  0.68  1.0
  Ga  Ga21  1  0.95  0.03  0.04  1.0
  Ga  Ga22  1  0.04  0.04  0.04  1.0
  Ga  Ga23  1  0.04  0.93  0.68  1.0
  Ga  Ga24  1  0.03  0.03  0.68  1.0
  Ga  Ga25  1  0.93  0.93  0.04  1.0
  Ga  Ga26  1  0.0  0.99  0.41  1.0
  Ga  Ga27  1  0.03  0.95  0.04  1.0
  Ga  Ga28  1  0.99  0.0  0.31  1.0
  Ga  Ga29  1  0.99  0.0  0.67  1.0
  Ga  Ga30  1  0.95  0.95  0.68  1.0
  Ga  Ga31  1  0.0  0.99  0.05  1.0

data_Pr5Ga3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   14.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Ga3
_chemical_formula_sum   'Pr20 Ga12'
_cell_volume   935.33
_cell_formula_units_Z   4
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
  Pr  Pr0  1  0.0  0.99  0.23  1.0
  Pr  Pr1  1  0.0  0.99  0.59  1.0
  Pr  Pr2  1  0.26  0.46  0.52  1.0
  Pr  Pr3  1  0.26  0.52  0.88  1.0
  Pr  Pr4  1  0.27  0.47  0.2  1.0
  Pr  Pr5  1  0.27  0.5  0.84  1.0
  Pr  Pr6  1  0.46  0.26  0.84  1.0
  Pr  Pr7  1  0.46  0.71  0.2  1.0
  Pr  Pr8  1  0.47  0.27  0.88  1.0
  Pr  Pr9  1  0.47  0.7  0.52  1.0
  Pr  Pr10  1  0.5  0.27  0.52  1.0
  Pr  Pr11  1  0.5  0.7  0.88  1.0
  Pr  Pr12  1  0.52  0.26  0.2  1.0
  Pr  Pr13  1  0.52  0.71  0.84  1.0
  Pr  Pr14  1  0.7  0.47  0.84  1.0
  Pr  Pr15  1  0.7  0.5  0.2  1.0
  Pr  Pr16  1  0.71  0.46  0.88  1.0
  Pr  Pr17  1  0.71  0.52  0.52  1.0
  Pr  Pr18  1  0.99  0.0  0.13  1.0
  Pr  Pr19  1  0.99  0.0  0.49  1.0
  Ga  Ga20  1  0.0  0.99  0.05  1.0
  Ga  Ga21  1  0.0  0.99  0.41  1.0
  Ga  Ga22  1  0.03  0.03  0.68  1.0
  Ga  Ga23  1  0.03  0.95  0.04  1.0
  Ga  Ga24  1  0.04  0.04  0.04  1.0
  Ga  Ga25  1  0.04  0.93  0.68  1.0
  Ga  Ga26  1  0.93  0.04  0.68  1.0
  Ga  Ga27  1  0.93  0.93  0.04  1.0
  Ga  Ga28  1  0.95  0.03  0.04  1.0
  Ga  Ga29  1  0.95  0.95  0.68  1.0
  Ga  Ga30  1  0.99  0.0  0.31  1.0
  Ga  Ga31  1  0.99  0.0  0.67  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga
Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga 0 12 o o o 1 9 o o o 1 16 o o o 2 6 o o o 3 30 - o o 3 29 - + o 3 20 - + o 3 23 o o o 3 24 o + o 4 7 o o o 5 13 o o o 8 28 - + o 9 14 o o o 10 18 o o o 10 11 o o o 11 15 o o o 14 16 o o o 15 18 o o o 17 25 o - o 17 21 o o o 17 31 + - o 17 27 + - o 17 22 + o o 19 26 + - o 20 29 o o o 21 31 + - o 21 25 o - o 22 31 o - o 23 29 - + o 23 24 o + o 23 30 - o o 24 29 - o o 25 31 + o o 25 27 + o o 27 31 o o o 29 30 o - o 