data_[Pr6Tc18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [9.0012]
_cell_length_b [9.0012]
_cell_length_c [27.5457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Pr(TcO4)3]
_chemical_formula_sum '[Pr6 Tc18 O72]'
_cell_volume [1932.7814]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0589  1
  Tc  Tc1  18  0.0059  0.6396  0.8324  1
  O  O2  18  0.0016  0.4705  0.3856  1
  O  O3  18  0.0746  0.2258  0.6185  1
  O  O4  18  0.0805  0.5222  0.0092  1
  O  O5  18  0.1045  0.2240  0.9888  1
]