data_[Tb1Hf1Pa2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9457]
_cell_length_b [4.0514]
_cell_length_c [7.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbHf(PaAs2)2]
_chemical_formula_sum '[Tb1 Hf1 Pa2 As4]'
_cell_volume [185.4893]
_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  0.0000  0.0000  0.0000  1
  Hf  Hf1  1  0.0000  0.5000  0.5000  1
  Pa  Pa2  1  0.5000  0.0000  0.5000  1
  Pa  Pa3  1  0.5000  0.5000  0.0000  1
  As  As4  2  0.2384  0.0000  0.7385  1
  As  As5  2  0.2442  0.5000  0.2563  1
]