data_[Sm12Sc3Pa9P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0018]
_cell_length_b [8.0018]
_cell_length_c [19.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm4ScPa3P8]
_chemical_formula_sum '[Sm12 Sc3 Pa9 P24]'
_cell_volume [1093.9371]
_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
[
  Sm  Sm0  9  0.0000  0.5000  0.0000  1
  Sm  Sm1  3  -0.0000  -0.0000  0.0000  1
  Sc  Sc2  3  0.0000  0.0000  0.5000  1
  Pa  Pa3  9  0.0000  0.5000  0.5000  1
  P  P4  18  0.0034  0.5017  0.2446  1
  P  P5  6  0.0000  0.0000  0.2465  1
]