data_[Ca2Pr4Al4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3370]
_cell_length_b [4.1190]
_cell_length_c [8.2785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr2(AlNi2)2]
_chemical_formula_sum '[Ca2 Pr4 Al4 Ni8]'
_cell_volume [347.9301]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1
  Pr  Pr1  4  0.1214  0.5000  0.8763  1
  Al  Al2  4  0.1781  0.5000  0.2877  1
  Ni  Ni3  4  0.0869  0.0000  0.1349  1
  Ni  Ni4  4  0.2428  0.5000  0.5861  1
]