data_[Cs1Tm1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0056]
_cell_length_b [7.2472]
_cell_length_c [9.6560]
_cell_angle_alpha [85.0904]
_cell_angle_beta [82.2249]
_cell_angle_gamma [87.0416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTm(PbBr4)2]
_chemical_formula_sum '[Cs1 Tm1 Pb2 Br8]'
_cell_volume [483.5604]
_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
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4759  0.4955  0.7492  1.0
  Br  Br3  2  0.2186  0.8177  0.1909  1.0
  Br  Br4  2  0.2247  0.3114  0.0000  1.0
  Br  Br5  2  0.2595  0.4012  0.5344  1.0
  Br  Br6  2  0.2667  0.8713  0.7834  1.0
]