data_[Li4Tm4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0832]
_cell_length_b [17.0136]
_cell_length_c [6.3327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTmCl4]
_chemical_formula_sum '[Li4 Tm4 Cl16]'
_cell_volume [677.6020]
_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  0.0000  0.3645  0.7500  1.0
  Tm  Tm1  4  0.0000  0.1734  0.2500  1.0
  Cl  Cl2  8  0.2123  0.2958  0.2280  1.0
  Cl  Cl3  8  0.2237  0.0787  0.2227  1.0
]