data_[Pr2In2Ni2]
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 [5.2694]
_cell_length_b [4.2682]
_cell_length_c [6.3070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrInNi]
_chemical_formula_sum '[Pr2 In2 Ni2]'
_cell_volume [139.0064]
_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  0.0885  0.2500  0.2634  1.0
  In  In1  2  0.4135  0.2500  0.8208  1.0
  Ni  Ni2  2  0.3822  0.7500  0.5352  1.0
]