data_[Li6Tm2Br12]
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 [P2_1/c]
_cell_length_a [7.0105]
_cell_length_b [7.1065]
_cell_length_c [12.8486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3TmBr6]
_chemical_formula_sum '[Li6 Tm2 Br12]'
_cell_volume [536.2734]
_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
[
  Li  Li0  4  0.2542  0.5240  0.2677  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1016  0.6013  0.7360  1.0
  Br  Br4  4  0.2508  0.1729  0.5898  1.0
  Br  Br5  4  0.3980  0.6792  0.5597  1.0
]