data_[Pr3Sm9Th12As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5047]
_cell_length_b [8.5047]
_cell_length_c [20.7432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrSm3(ThAs2)4]
_chemical_formula_sum '[Pr3 Sm9 Th12 As24]'
_cell_volume [1299.3441]
_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
[
  Pr  Pr0  3  -0.0000  -0.0000  0.0000  1
  Sm  Sm1  9  0.0000  0.5000  0.0000  1
  Th  Th2  9  0.0000  0.5000  0.5000  1
  Th  Th3  3  -0.0000  -0.0000  0.5000  1
  As  As4  18  0.0023  0.5012  0.2495  1
  As  As5  6  0.0000  0.0000  0.2501  1
]