data_[Pr12Tc4H2Br6]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0831]
_cell_length_b [11.6284]
_cell_length_c [8.3440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Tc2HBr3]
_chemical_formula_sum '[Pr12 Tc4 H2 Br6]'
_cell_volume [662.6785]
_cell_formula_units_Z [2]
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  8  0.2368  0.1655  0.1891  1
  Pr  Pr1  4  0.2358  0.0000  0.7811  1
  Tc  Tc2  4  0.0000  0.3597  0.0000  1
  H  H3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1794  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]