data_[Tb6Ni1Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3381]
_cell_length_b [9.1730]
_cell_length_c [9.2220]
_cell_angle_alpha [107.5956]
_cell_angle_beta [96.6243]
_cell_angle_gamma [104.6082]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb6NiBr10]
_chemical_formula_sum '[Tb6 Ni1 Br10]'
_cell_volume [560.0951]
_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  0.0371  0.7077  0.9097  1.0
  Tb  Tb1  2  0.1253  0.0472  0.7569  1.0
  Tb  Tb2  2  0.3508  0.1297  0.1741  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  2  0.0872  0.3712  0.8263  1.0
  Br  Br5  2  0.2271  0.7484  0.6564  1.0
  Br  Br6  2  0.2476  0.0800  0.4557  1.0
  Br  Br7  2  0.3406  0.4494  0.2719  1.0
  Br  Br8  2  0.4548  0.8198  0.0864  1.0
]