data_[Cs2Rb4Tm2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2435]
_cell_length_b [8.7806]
_cell_length_c [14.3153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsRb2TmBr6]
_chemical_formula_sum '[Cs2 Rb4 Tm2 Br12]'
_cell_volume [853.0218]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.0000  1.0
  Rb  Rb1  4  0.2864  0.5771  0.7548  1.0
  Tm  Tm2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0763  0.5599  0.2129  1.0
  Br  Br4  4  0.2332  0.2370  0.0821  1.0
  Br  Br5  4  0.3298  0.6697  0.0597  1.0
]