data_[Tm2In4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2484]
_cell_length_b [11.5309]
_cell_length_c [7.4575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(InI4)2]
_chemical_formula_sum '[Tm2 In4 I16]'
_cell_volume [1200.6269]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.1984  0.0000  0.6694  1.0
  I  I2  8  0.0830  0.1833  0.7910  1.0
  I  I3  4  0.1115  0.5000  0.1517  1.0
  I  I4  4  0.1901  0.0000  0.2726  1.0
]