data_[U2As4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [3.9707]
_cell_length_b [3.9707]
_cell_length_c [9.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [U2As4Pd]
_chemical_formula_sum '[U2 As4 Pd1]'
_cell_volume [145.8904]
_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
[
  U  U0  2  0.0000  0.5000  0.2548  1
  As  As1  2  0.0000  0.5000  0.8266  1
  As  As2  1  0.0000  0.0000  0.5000  1
  As  As3  1  0.5000  0.5000  0.5000  1
  Pd  Pd4  1  0.5000  0.5000  0.0000  1
]