data_[Pr16In4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3274]
_cell_length_b [5.2657]
_cell_length_c [7.0053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8In2Ni]
_chemical_formula_sum '[Pr16 In4 Ni2]'
_cell_volume [690.9376]
_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  4  0.0136  0.0000  0.7809  1.0
  Pr  Pr1  4  0.0904  0.5000  0.4566  1.0
  Pr  Pr2  4  0.1455  0.5000  0.9769  1.0
  Pr  Pr3  4  0.2105  0.0000  0.3003  1.0
  In  In4  4  0.1831  0.0000  0.7452  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]