data_Pr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2In
_chemical_formula_sum   'Pr4 In2'
_cell_volume   222.09
_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  Pr2  1  0.0  0.0  0.0  1.0
  Pr  Pr3  1  0.93  0.69  0.86  1.0
  Pr  Pr4  1  0.0  0.0  0.72  1.0
  Pr  Pr5  1  0.0  0.39  0.59  1.0
  In  In0  1  0.0  0.39  0.86  1.0
  In  In1  1  0.93  0.69  0.59  1.0

data_Pr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2In
_chemical_formula_sum   'Pr4 In2'
_cell_volume   222.09
_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  0.0  1.0
  Pr  Pr1  1  0.0  0.0  0.72  1.0
  Pr  Pr2  1  0.0  0.39  0.59  1.0
  Pr  Pr3  1  0.93  0.69  0.86  1.0
  In  In4  1  0.0  0.39  0.86  1.0
  In  In5  1  0.93  0.69  0.59  1.0

Pr Pr Pr Pr In In
Pr Pr Pr Pr In In 0 1 - - - 0 2 o o - 1 2 + + o 1 4 + o o 1 5 o o o 2 5 - - o 3 5 - o o 3 4 o o o 