data_[Pr4In2Ni2]
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_1/m]
_cell_length_a [6.5696]
_cell_length_b [3.8570]
_cell_length_c [9.1648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2InNi]
_chemical_formula_sum '[Pr4 In2 Ni2]'
_cell_volume [219.2360]
_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  2  0.2388  0.7500  0.4556  1.0
  Pr  Pr1  2  0.3241  0.2500  0.1107  1.0
  In  In2  2  0.1375  0.7500  0.7950  1.0
  Ni  Ni3  2  0.3781  0.2500  0.7002  1.0
]