data_[Tb1Pa1Cu2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3506]
_cell_length_b [4.3506]
_cell_length_c [9.6563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TbPa(CuSb2)2]
_chemical_formula_sum '[Tb1 Pa1 Cu2 Sb4]'
_cell_volume [182.7672]
_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
[
  Tb  Tb0  1  0.5000  0.5000  0.2431  1
  Pa  Pa1  1  0.0000  0.0000  0.7446  1
  Cu  Cu2  2  0.0000  0.5000  0.5034  1
  Sb  Sb3  2  0.0000  0.5000  0.9943  1
  Sb  Sb4  1  0.0000  0.0000  0.3440  1
  Sb  Sb5  1  0.5000  0.5000  0.6728  1
]