data_[Sm32Pa16P48]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.1113]
_cell_length_b [11.4608]
_cell_length_c [24.3040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Sm2PaP3]
_chemical_formula_sum '[Sm32 Pa16 P48]'
_cell_volume [2259.3380]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.2513  1
  Sm  Sm1  16  0.0000  0.0000  0.4177  1
  Pa  Pa2  16  0.0000  0.0000  0.0835  1
  P  P3  32  0.0054  0.2444  0.0855  1
  P  P4  16  0.0106  0.2500  0.2500  1
]