data_[Pr24Bi12As3Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9154]
_cell_length_b [8.9154]
_cell_length_c [21.8927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Bi4AsSe3]
_chemical_formula_sum '[Pr24 Bi12 As3 Se9]'
_cell_volume [1507.0068]
_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  18  0.0045  0.5022  0.2439  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2447  1.0
  Bi  Bi2  9  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0000  1.0
  As  As4  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se5  9  0.0000  0.5000  0.5000  1.0
]