data_[Ca12U9Pa3As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3240]
_cell_length_b [8.3240]
_cell_length_c [20.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4U3PaAs8]
_chemical_formula_sum '[Ca12 U9 Pa3 As24]'
_cell_volume [1235.8684]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  9  0.0000  0.5000  0.0000  1
  Ca  Ca1  3  -0.0000  -0.0000  0.0000  1
  U  U2  9  0.0000  0.5000  0.5000  1
  Pa  Pa3  3  0.0000  0.0000  0.5000  1
  As  As4  18  0.0011  0.5005  0.2441  1
  As  As5  6  0.0000  0.0000  0.2439  1
]