data_[Ca2Pr2Pd3]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5540]
_cell_length_b [5.6552]
_cell_length_c [7.8342]
_cell_angle_alpha [76.2937]
_cell_angle_beta [74.6236]
_cell_angle_gamma [89.9370]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Pr2Pd3]
_chemical_formula_sum '[Ca2 Pr2 Pd3]'
_cell_volume [188.5865]
_cell_formula_units_Z [1]
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  0.1271  0.5730  0.7799  1
  Pr  Pr1  2  0.3516  0.9108  0.2827  1
  Pd  Pd2  2  0.2619  0.3426  0.4691  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
]