data_[Sm8Pa8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8421]
_cell_length_b [17.6433]
_cell_length_c [7.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmPaSb2]
_chemical_formula_sum '[Sm8 Pa8 Sb16]'
_cell_volume [974.9289]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  4  0.0000  0.0610  0.7500  1
  Sm  Sm1  4  0.0000  0.1860  0.2500  1
  Pa  Pa2  4  0.0000  0.3110  0.7500  1
  Pa  Pa3  4  0.0000  0.4359  0.2500  1
  Sb  Sb4  8  0.2418  0.4375  0.7454  1
  Sb  Sb5  8  0.2479  0.3125  0.2455  1
]