data_Pr5CuBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5CuBi3
_chemical_formula_sum   'Pr10 Cu2 Bi6'
_cell_volume   540.83
_cell_formula_units_Z   2
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  0.6  0.32  1.0
  Pr  Pr1  1  0.85  0.8  0.32  1.0
  Pr  Pr2  1  0.85  0.8  0.0  1.0
  Pr  Pr3  1  0.0  0.6  0.0  1.0
  Pr  Pr4  1  0.2  0.0  0.66  1.0
  Pr  Pr5  1  0.4  0.23  0.66  1.0
  Pr  Pr6  1  0.25  0.16  0.66  1.0
  Pr  Pr7  1  0.5  0.0  0.98  1.0
  Pr  Pr8  1  0.75  0.16  0.98  1.0
  Pr  Pr9  1  0.6  0.23  0.98  1.0
  Cu  Cu10  1  0.0  0.0  0.32  1.0
  Cu  Cu11  1  0.0  0.0  0.0  1.0
  Bi  Bi12  1  0.73  0.0  0.66  1.0
  Bi  Bi13  1  0.14  0.23  0.66  1.0
  Bi  Bi14  1  0.98  0.17  0.66  1.0
  Bi  Bi15  1  0.97  0.0  0.98  1.0
  Bi  Bi16  1  0.02  0.17  0.98  1.0
  Bi  Bi17  1  0.86  0.23  0.98  1.0

data_Pr5CuBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.64
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5CuBi3
_chemical_formula_sum   'Pr10 Cu2 Bi6'
_cell_volume   540.83
_cell_formula_units_Z   2
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  0.0  0.6  1.0
  Pr  Pr1  1  0.0  0.85  0.8  1.0
  Pr  Pr2  1  0.32  0.0  0.6  1.0
  Pr  Pr3  1  0.32  0.85  0.8  1.0
  Pr  Pr4  1  0.66  0.2  0.0  1.0
  Pr  Pr5  1  0.66  0.25  0.16  1.0
  Pr  Pr6  1  0.66  0.4  0.23  1.0
  Pr  Pr7  1  0.98  0.5  0.0  1.0
  Pr  Pr8  1  0.98  0.6  0.23  1.0
  Pr  Pr9  1  0.98  0.75  0.16  1.0
  Cu  Cu10  1  0.0  0.0  0.0  1.0
  Cu  Cu11  1  0.32  0.0  0.0  1.0
  Bi  Bi12  1  0.66  0.14  0.23  1.0
  Bi  Bi13  1  0.66  0.73  0.0  1.0
  Bi  Bi14  1  0.66  0.98  0.17  1.0
  Bi  Bi15  1  0.98  0.02  0.17  1.0
  Bi  Bi16  1  0.98  0.86  0.23  1.0
  Bi  Bi17  1  0.98  0.97  0.0  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Cu Cu Bi Bi Bi Bi Bi Bi
Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Cu Cu Bi Bi Bi Bi Bi Bi 0 3 o o o 1 10 + + o 2 15 o + - 2 11 + + o 4 6 o o o 5 6 o o o 6 13 o o o 7 9 o o o 7 8 o o o 8 17 o o o 8 9 o o o 8 12 o o o 10 11 o o o 11 15 - o - 11 16 o o - 12 14 o o o 13 14 - o o 15 16 + o o 