data_PrInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrInCu
_chemical_formula_sum   'Pr3 In3 Cu3'
_cell_volume   208.72
_cell_formula_units_Z   3
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  0.57  0.71  0.0  1.0
  Pr  Pr1  1  0.41  0.0  0.0  1.0
  Pr  Pr2  1  0.79  0.82  0.0  1.0
  In  In3  1  0.85  0.93  0.12  1.0
  In  In4  1  0.85  0.0  0.12  1.0
  In  In5  1  0.07  0.6  0.12  1.0
  Cu  Cu6  1  0.77  0.18  0.12  1.0
  Cu  Cu7  1  0.0  0.36  0.12  1.0
  Cu  Cu8  1  0.0  0.0  0.0  1.0

data_PrInCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrInCu
_chemical_formula_sum   'Pr3 In3 Cu3'
_cell_volume   208.72
_cell_formula_units_Z   3
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  0.41  0.0  1.0
  Pr  Pr1  1  0.0  0.79  0.82  1.0
  Pr  Pr2  1  0.0  0.57  0.71  1.0
  In  In3  1  0.12  0.07  0.6  1.0
  In  In4  1  0.12  0.85  0.93  1.0
  In  In5  1  0.12  0.85  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.12  -0.0  0.36  1.0
  Cu  Cu8  1  0.12  0.77  0.18  1.0

Pr Pr Pr In In In Cu Cu Cu
Pr Pr Pr In In In Cu Cu Cu 0 2 o o o 0 1 o + o 1 5 o - o 1 6 o o o 2 3 o o o 3 4 o + o 3 8 + + o 4 6 o o o 4 8 + o o 5 7 o o o 6 7 + o o 