data_[Tb2Sm2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5750]
_cell_length_b [4.0221]
_cell_length_c [13.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbSmBr5]
_chemical_formula_sum '[Tb2 Sm2 Br10]'
_cell_volume [470.3123]
_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  2  0.4159  0.7500  0.3439  1
  Sm  Sm1  2  0.1036  0.2500  0.1514  1
  Br  Br2  2  0.0699  0.7500  0.3078  1
  Br  Br3  2  0.1322  0.2500  0.9286  1
  Br  Br4  2  0.3234  0.2500  0.4820  1
  Br  Br5  2  0.3487  0.7500  0.1278  1
  Br  Br6  2  0.3718  0.7500  0.7094  1
]