data_[Tm2Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6108]
_cell_length_b [4.1958]
_cell_length_c [12.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(AgI3)2]
_chemical_formula_sum '[Tm2 Ag4 I12]'
_cell_volume [837.9892]
_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  0.5000  1.0
  Ag  Ag1  4  0.0565  0.0000  0.1824  1.0
  I  I2  4  0.0785  0.0000  0.7670  1.0
  I  I3  4  0.1245  0.5000  0.5084  1.0
  I  I4  4  0.1421  0.5000  0.1471  1.0
]