data_[Ca2Pr6Pd4]
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 [Pmc2_1]
_cell_length_a [5.0060]
_cell_length_b [9.1064]
_cell_length_c [7.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaPr3Pd2]
_chemical_formula_sum '[Ca2 Pr6 Pd4]'
_cell_volume [342.3399]
_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  0.5000  0.4209  0.5137  1
  Pr  Pr1  2  0.0000  0.0854  0.4880  1
  Pr  Pr2  2  0.0000  0.3307  0.8543  1
  Pr  Pr3  2  0.5000  0.1641  0.1458  1
  Pd  Pd4  2  0.0000  0.3430  0.2482  1
  Pd  Pd5  2  0.5000  0.1536  0.7501  1
]