data_[Li4Tm8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.7273]
_cell_length_b [6.7769]
_cell_length_c [8.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTm2Br5]
_chemical_formula_sum '[Li4 Tm8 Br20]'
_cell_volume [970.7506]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.2500  0.2500  0.0000  1
  Tm  Tm1  8  0.0466  0.2315  0.0982  1
  Br  Br2  8  0.0918  0.4289  0.4398  1
  Br  Br3  8  0.1889  0.0728  0.1884  1
  Br  Br4  4  0.0000  0.1015  0.7500  1
]