data_[Pr4In5Ni2]
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 [P2/m]
_cell_length_a [7.8145]
_cell_length_b [3.7192]
_cell_length_c [9.9268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4In5Ni2]
_chemical_formula_sum '[Pr4 In5 Ni2]'
_cell_volume [287.6693]
_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  2  0.1717  0.5000  0.8490  1.0
  Pr  Pr1  2  0.2233  0.5000  0.4432  1.0
  In  In2  2  0.1799  0.0000  0.1534  1.0
  In  In3  2  0.4483  0.0000  0.6794  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0683  0.0000  0.6302  1.0
]