data_[Pr6Ru1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7540]
_cell_length_b [9.4515]
_cell_length_c [9.8104]
_cell_angle_alpha [108.3160]
_cell_angle_beta [96.6133]
_cell_angle_gamma [105.8400]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr6RuBr10]
_chemical_formula_sum '[Pr6 Ru1 Br10]'
_cell_volume [640.5428]
_cell_formula_units_Z [1]
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  2  0.0338  0.7164  0.9137  1.0
  Pr  Pr1  2  0.1351  0.0559  0.7525  1.0
  Pr  Pr2  2  0.3688  0.1456  0.1878  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.0905  0.3720  0.8329  1.0
  Br  Br5  2  0.2082  0.7492  0.6564  1.0
  Br  Br6  2  0.2436  0.0779  0.4477  1.0
  Br  Br7  2  0.3433  0.4573  0.2736  1.0
  Br  Br8  2  0.4486  0.8245  0.0790  1.0
]