data_[Cs1Ba2Tm1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8339]
_cell_length_b [9.6704]
_cell_length_c [6.8956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsBa2TmCl8]
_chemical_formula_sum '[Cs1 Ba2 Tm1 Cl8]'
_cell_volume [455.7050]
_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  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2447  0.5000  1.0
  Tm  Tm2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2181  0.1929  0.8470  1.0
  Cl  Cl4  2  0.2419  0.0000  0.3058  1.0
  Cl  Cl5  2  0.2637  0.5000  0.4015  1.0
]