data_[Pr2Al10Cu2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0055]
_cell_length_b [7.1420]
_cell_length_c [9.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [PrAl5CuNi]
_chemical_formula_sum '[Pr2 Al10 Cu2 Ni2]'
_cell_volume [276.0569]
_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  0.0000  0.0000  0.0003  1
  Al  Al1  4  0.0000  0.1840  0.3428  1
  Al  Al2  4  0.0000  0.1935  0.6540  1
  Al  Al3  2  0.0000  0.5000  0.9995  1
  Cu  Cu4  2  0.0000  0.5000  0.2459  1
  Ni  Ni5  2  0.0000  0.5000  0.7605  1
]