data_[Zr2Pa6Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7196]
_cell_length_b [4.5209]
_cell_length_c [9.8109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr(PaRh2)3]
_chemical_formula_sum '[Zr2 Pa6 Rh12]'
_cell_volume [373.2707]
_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
[
  Zr  Zr0  2  0.0470  0.2500  0.3909  1
  Pa  Pa1  2  0.2076  0.2500  0.0508  1
  Pa  Pa2  2  0.3630  0.7500  0.7798  1
  Pa  Pa3  2  0.4884  0.2500  0.6392  1
  Rh  Rh4  2  0.1028  0.7500  0.8889  1
  Rh  Rh5  2  0.1343  0.7500  0.1927  1
  Rh  Rh6  2  0.1465  0.2500  0.6948  1
  Rh  Rh7  2  0.2193  0.7500  0.5003  1
  Rh  Rh8  2  0.3405  0.2500  0.3562  1
  Rh  Rh9  2  0.4356  0.7500  0.0689  1
]