data_[Tm8Ge2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0264]
_cell_length_b [4.0169]
_cell_length_c [8.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm4GeBr5]
_chemical_formula_sum '[Tm8 Ge2 Br10]'
_cell_volume [581.6651]
_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
[
  Tm  Tm0  4  0.0009  0.0000  0.2227  1.0
  Tm  Tm1  4  0.1505  0.5000  0.0784  1.0
  Ge  Ge2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1674  0.0000  0.3288  1.0
  Br  Br4  4  0.1737  0.0000  0.8401  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]