data_[Sc1Pa4Tc5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4052]
_cell_length_b [3.4052]
_cell_length_c [17.0483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ScPa4Tc5]
_chemical_formula_sum '[Sc1 Pa4 Tc5]'
_cell_volume [197.6831]
_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
[
  Sc  Sc0  1  0.0000  0.0000  0.0000  1
  Pa  Pa1  2  0.0000  0.0000  0.1909  1
  Pa  Pa2  2  0.0000  0.0000  0.3978  1
  Tc  Tc3  2  0.5000  0.5000  0.1019  1
  Tc  Tc4  2  0.5000  0.5000  0.2898  1
  Tc  Tc5  1  0.5000  0.5000  0.5000  1
]