data_[Zr6Pa2Rh12]
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 [8.5312]
_cell_length_b [4.3241]
_cell_length_c [9.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr3PaRh6]
_chemical_formula_sum '[Zr6 Pa2 Rh12]'
_cell_volume [353.7131]
_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  0.2419  0.2500  0.0458  1
  Zr  Zr1  2  0.3478  0.7500  0.8225  1
  Zr  Zr2  2  0.4434  0.2500  0.6043  1
  Pa  Pa3  2  0.0567  0.2500  0.3662  1
  Rh  Rh4  2  0.0635  0.7500  0.9125  1
  Rh  Rh5  2  0.1576  0.7500  0.2157  1
  Rh  Rh6  2  0.1661  0.2500  0.7323  1
  Rh  Rh7  2  0.2391  0.7500  0.5177  1
  Rh  Rh8  2  0.3786  0.2500  0.3207  1
  Rh  Rh9  2  0.4644  0.7500  0.1027  1
]