data_[Pr4Er4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2068]
_cell_length_b [5.8021]
_cell_length_c [8.3466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrErPd3]
_chemical_formula_sum '[Pr4 Er4 Pd12]'
_cell_volume [437.9580]
_cell_formula_units_Z [4]
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  4  0.3851  0.0944  0.7802  1
  Er  Er1  4  0.0592  0.7209  0.3749  1
  Pd  Pd2  4  0.1501  0.1968  0.4246  1
  Pd  Pd3  4  0.2408  0.5433  0.6546  1
  Pd  Pd4  4  0.3821  0.6539  0.9636  1
]