data_[Tb8Ni2Br10]
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 [C2/m]
_cell_length_a [18.4865]
_cell_length_b [3.9298]
_cell_length_c [8.4900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4NiBr5]
_chemical_formula_sum '[Tb8 Ni2 Br10]'
_cell_volume [601.3822]
_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
[
  Tb  Tb0  4  0.0005  0.0000  0.2149  1.0
  Tb  Tb1  4  0.1468  0.5000  0.0788  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1677  0.0000  0.3388  1.0
  Br  Br4  4  0.1769  0.0000  0.8387  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]