data_[Pr2Ag3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6126]
_cell_length_b [4.8791]
_cell_length_c [8.1225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2Ag3Pd]
_chemical_formula_sum '[Pr2 Ag3 Pd1]'
_cell_volume [143.1693]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.4855  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0221  1.0
  Ag  Ag2  1  0.5000  0.0000  0.1669  1.0
  Ag  Ag3  1  0.5000  0.0000  0.8277  1.0
  Ag  Ag4  1  0.5000  0.5000  0.6688  1.0
  Pd  Pd5  1  0.5000  0.5000  0.3290  1.0
]