data_[Cs1Tm1Ag1I6]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.5487]
_cell_length_b [7.6844]
_cell_length_c [8.2600]
_cell_angle_alpha [93.3781]
_cell_angle_beta [98.0410]
_cell_angle_gamma [110.4982]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTmAgI6]
_chemical_formula_sum '[Cs1 Tm1 Ag1 I6]'
_cell_volume [441.3731]
_cell_formula_units_Z [1]
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  1  0.9246  0.0402  0.0105  1.0
  Tm  Tm1  1  0.3359  0.6788  0.5198  1.0
  Ag  Ag2  1  0.7196  0.3738  0.4578  1.0
  I  I3  1  0.0507  0.3501  0.6469  1.0
  I  I4  1  0.3499  0.9546  0.7795  1.0
  I  I5  1  0.4106  0.4227  0.2564  1.0
  I  I6  1  0.5813  0.9787  0.3391  1.0
  I  I7  1  0.6340  0.5746  0.7273  1.0
  I  I8  1  0.9933  0.6262  0.2626  1.0
]