data_[Cs1Tb1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0323]
_cell_length_b [7.1487]
_cell_length_c [9.9599]
_cell_angle_alpha [72.2537]
_cell_angle_beta [74.4004]
_cell_angle_gamma [72.5167]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTbMg2Br8]
_chemical_formula_sum '[Cs1 Tb1 Mg2 Br8]'
_cell_volume [446.0930]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4583  0.4496  0.7112  1.0
  Br  Br3  2  0.1795  0.7063  0.2278  1.0
  Br  Br4  2  0.2658  0.7853  0.7982  1.0
  Br  Br5  2  0.2755  0.2365  0.9524  1.0
  Br  Br6  2  0.3859  0.2978  0.5330  1.0
]