data_[Pr2Y2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2459]
_cell_length_b [3.8373]
_cell_length_c [10.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrYNi2]
_chemical_formula_sum '[Pr2 Y2 Ni4]'
_cell_volume [169.3319]
_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  0.5000  0.0000  0.9803  1.0
  Y  Y1  2  0.0000  0.0000  0.2578  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5538  1.0
  Ni  Ni3  2  0.5000  0.0000  0.6940  1.0
]