data_[Pr24P9Au3Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5009]
_cell_length_b [8.5009]
_cell_length_c [20.9390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8P3AuSe4]
_chemical_formula_sum '[Pr24 P9 Au3 Se12]'
_cell_volume [1310.4437]
_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  0.0104  0.5052  0.7529  1
  Pr  Pr1  6  0.0000  0.0000  0.2435  1
  P  P2  9  0.0000  0.5000  0.5000  1
  Au  Au3  3  0.0000  0.0000  0.5000  1
  Se  Se4  9  0.0000  0.5000  0.0000  1
  Se  Se5  3  -0.0000  -0.0000  0.0000  1
]