data_Pr(InCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   133.81
_cell_angle_beta   99.24
_cell_angle_gamma   98.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(InCu)6
_chemical_formula_sum   'Pr1 In6 Cu6'
_cell_volume   240.63
_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
  Pr  Pr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.1  0.0  1.0
  In  In2  1  0.0  0.13  0.0  1.0
  In  In3  1  0.0  0.0  0.11  1.0
  In  In4  1  0.0  0.0  0.21  1.0
  In  In5  1  0.8  0.0  0.75  1.0
  In  In6  1  0.0  0.62  0.91  1.0
  Cu  Cu7  1  0.4  0.31  0.67  1.0
  Cu  Cu8  1  0.4  0.69  0.33  1.0
  Cu  Cu9  1  0.4  0.31  0.33  1.0
  Cu  Cu10  1  0.6  0.31  0.33  1.0
  Cu  Cu11  1  0.8  0.19  0.0  1.0
  Cu  Cu12  1  0.0  0.43  0.66  1.0

data_Pr(InCu)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   80.76
_cell_angle_beta   66.9
_cell_angle_gamma   66.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr(InCu)6
_chemical_formula_sum   'Pr1 In6 Cu6'
_cell_volume   240.63
_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
  Pr  Pr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  -0.0  0.13  1.0
  In  In2  1  0.0  -0.0  0.1  1.0
  In  In3  1  0.11  -0.0  0.89  1.0
  In  In4  1  0.21  -0.0  0.79  1.0
  In  In5  1  0.91  -0.0  0.71  1.0
  In  In6  1  0.95  0.8  0.25  1.0
  Cu  Cu7  1  0.2  0.8  0.19  1.0
  Cu  Cu8  1  0.27  0.4  0.64  1.0
  Cu  Cu9  1  0.66  -0.0  0.77  1.0
  Cu  Cu10  1  0.73  0.6  0.98  1.0
  Cu  Cu11  1  0.93  0.4  0.98  1.0
  Cu  Cu12  1  0.93  0.4  0.36  1.0

Pr In In In In In In Cu Cu Cu Cu Cu Cu
Pr In In In In In In Cu Cu Cu Cu Cu Cu 0 1 o o o 0 3 o o o 1 2 o o o 1 8 o o o 2 8 o o o 2 11 - o o 3 4 o o o 4 7 o o o 5 11 o o + 5 8 o - o 6 12 o o o 6 8 o o + 7 12 o o o 7 8 o - o 7 8 o o + 7 10 o o o 7 9 o o o 8 10 o o o 8 9 o o o 8 11 o + + 9 10 o o o 