data_[Hf12Pa4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0623]
_cell_length_b [3.5822]
_cell_length_c [10.1391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3PaTe2]
_chemical_formula_sum '[Hf12 Pa4 Te8]'
_cell_volume [575.0741]
_cell_formula_units_Z [4]
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
[
  Hf  Hf0  4  0.0562  0.0000  0.6408  1
  Hf  Hf1  4  0.1333  0.5000  0.4615  1
  Hf  Hf2  4  0.1912  0.5000  0.8731  1
  Pa  Pa3  4  0.1130  0.0000  0.0800  1
  Te  Te4  4  0.0057  0.5000  0.8196  1
  Te  Te5  4  0.2460  0.0000  0.6876  1
]