data_[Hf2Pa8Ge10]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0892]
_cell_length_b [5.7870]
_cell_length_c [20.3294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HfPa4Ge5]
_chemical_formula_sum '[Hf2 Pa8 Ge10]'
_cell_volume [481.0793]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.0000  0.0000  0.1956  1
  Pa  Pa2  4  0.0000  0.0000  0.4006  1
  Ge  Ge3  4  0.0000  0.5000  0.2015  1
  Ge  Ge4  4  0.0000  0.5000  0.4067  1
  Ge  Ge5  2  0.0000  0.5000  0.0000  1
]