data_[Pr6In4Ni8]
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 [10.1639]
_cell_length_b [4.3307]
_cell_length_c [8.6834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(InNi2)2]
_chemical_formula_sum '[Pr6 In4 Ni8]'
_cell_volume [380.0829]
_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  0.1287  0.5000  0.3807  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1745  0.5000  0.7799  1.0
  Ni  Ni3  4  0.0745  0.0000  0.6211  1.0
  Ni  Ni4  4  0.2322  0.5000  0.0792  1.0
]