data_[Tb4Y4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3725]
_cell_length_b [3.9405]
_cell_length_c [10.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbYBr3]
_chemical_formula_sum '[Tb4 Y4 Br12]'
_cell_volume [731.9236]
_cell_formula_units_Z [4]
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  0.0811  0.0000  0.2534  1.0
  Y  Y1  4  0.0801  0.5000  0.9651  1.0
  Br  Br2  4  0.0764  0.0000  0.7596  1.0
  Br  Br3  4  0.1384  0.5000  0.4548  1.0
  Br  Br4  4  0.1944  0.0000  0.1259  1.0
]