data_[Pr2Ag1As3Pd4]
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
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3396]
_cell_length_b [4.3396]
_cell_length_c [10.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2AgAs3Pd4]
_chemical_formula_sum '[Pr2 Ag1 As3 Pd4]'
_cell_volume [200.3849]
_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  2  0.0000  0.5000  0.7596  1.0
  Ag  Ag1  1  0.5000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.5000  0.1302  1.0
  As  As3  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.3586  1.0
  Pd  Pd5  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.0000  1.0
]