data_[Ho6Pa24As36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.2956]
_cell_length_b [11.2956]
_cell_length_c [13.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ho(Pa2As3)2]
_chemical_formula_sum '[Ho6 Pa24 As36]'
_cell_volume [1543.8441]
_cell_formula_units_Z [6]
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
[
  Ho  Ho0  6  0.0000  -0.0000  0.0000  1
  Pa  Pa1  18  0.0000  0.3881  0.7500  1
  Pa  Pa2  6  0.0000  0.0000  0.2500  1
  As  As3  36  0.0318  0.2113  0.8841  1
]