data_[Pr24Ni3Te12Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7171]
_cell_length_b [8.7171]
_cell_length_c [21.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8NiTe4Se3]
_chemical_formula_sum '[Pr24 Ni3 Te12 Se9]'
_cell_volume [1441.5742]
_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  0.0163  0.5081  0.2398  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2418  1.0
  Ni  Ni2  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te3  9  0.0000  0.5000  0.0000  1.0
  Te  Te4  3  0.0000  0.0000  0.0000  1.0
  Se  Se5  9  0.0000  0.5000  0.5000  1.0
]