data_[Cs4Tm4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.5037]
_cell_length_b [7.5383]
_cell_length_c [8.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTmI4]
_chemical_formula_sum '[Cs4 Tm4 I16]'
_cell_volume [1135.9333]
_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
[
  Cs  Cs0  4  0.0000  0.1685  0.2500  1.0
  Tm  Tm1  4  0.2500  0.2500  0.0000  1.0
  I  I2  8  0.0978  0.3876  0.9450  1.0
  I  I3  8  0.1957  0.0714  0.6613  1.0
]