data_[Pr21Tc3Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.0596]
_cell_length_b [15.0596]
_cell_length_c [10.6195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr7TcCl12]
_chemical_formula_sum '[Pr21 Tc3 Cl36]'
_cell_volume [2085.7532]
_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  0.0355  0.1686  0.8542  1
  Pr  Pr1  3  0.0000  0.0000  0.5000  1
  Tc  Tc2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0252  0.5740  0.6590  1
  Cl  Cl4  18  0.0366  0.1583  0.3348  1
]