data_[Rb1Ba2Tm1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [6.8115]
_cell_length_b [9.5475]
_cell_length_c [6.8569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbBa2TmCl8]
_chemical_formula_sum '[Rb1 Ba2 Tm1 Cl8]'
_cell_volume [445.8948]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2464  0.5000  1.0
  Tm  Tm2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2153  0.1986  0.8491  1.0
  Cl  Cl4  2  0.2411  0.0000  0.3093  1.0
  Cl  Cl5  2  0.2592  0.5000  0.3884  1.0
]