data_[Rb12Pr9Ta3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5403]
_cell_length_b [8.5403]
_cell_length_c [24.1255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Pr3TaSe8]
_chemical_formula_sum '[Rb12 Pr9 Ta3 Se24]'
_cell_volume [1523.8801]
_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
[
  Rb  Rb0  9  0.0000  0.5000  0.5000  1
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1
  Pr  Pr2  9  0.0000  0.5000  0.0000  1
  Ta  Ta3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0282  0.5141  0.7314  1
  Se  Se5  6  0.0000  0.0000  0.2640  1
]