data_[Tb6Ru1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [7.4233]
_cell_length_b [9.2019]
_cell_length_c [9.2893]
_cell_angle_alpha [107.7161]
_cell_angle_beta [96.4917]
_cell_angle_gamma [104.6525]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb6RuBr10]
_chemical_formula_sum '[Tb6 Ru1 Br10]'
_cell_volume [572.2176]
_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
[
  Tb  Tb0  2  0.0342  0.7068  0.9100  1.0
  Tb  Tb1  2  0.1257  0.0487  0.7543  1.0
  Tb  Tb2  2  0.3582  0.1344  0.1788  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.0892  0.3717  0.8291  1.0
  Br  Br5  2  0.2200  0.7483  0.6565  1.0
  Br  Br6  2  0.2466  0.0806  0.4548  1.0
  Br  Br7  2  0.3401  0.4490  0.2739  1.0
  Br  Br8  2  0.4544  0.8219  0.0845  1.0
]