data_[Tm2Te2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4231]
_cell_length_b [4.3139]
_cell_length_c [7.4316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmTeI]
_chemical_formula_sum '[Tm2 Te2 I2]'
_cell_volume [237.6411]
_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  1  0.0000  0.0000  0.5000  1
  Tm  Tm1  1  0.0000  0.5000  0.0000  1
  Te  Te2  2  0.2276  0.0000  0.1853  1
  I  I3  2  0.2496  0.5000  0.6745  1
]