data_[Pa5Tc4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3712]
_cell_length_b [3.3712]
_cell_length_c [18.0776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pa5Tc4Pd]
_chemical_formula_sum '[Pa5 Tc4 Pd1]'
_cell_volume [205.4551]
_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
[
  Pa  Pa0  2  0.5000  0.5000  0.1085  1
  Pa  Pa1  2  0.5000  0.5000  0.3035  1
  Pa  Pa2  1  0.5000  0.5000  0.5000  1
  Tc  Tc3  2  0.0000  0.0000  0.2037  1
  Tc  Tc4  2  0.0000  0.0000  0.4004  1
  Pd  Pd5  1  0.0000  0.0000  0.0000  1
]