data_[Te2As2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1573]
_cell_length_b [4.0986]
_cell_length_c [7.5266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TeAsI]
_chemical_formula_sum '[Te2 As2 I2]'
_cell_volume [220.4797]
_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
[
  Te  Te0  2  0.0923  0.7500  0.2146  1.0
  As  As1  2  0.2289  0.2500  0.0009  1.0
  I  I2  2  0.3950  0.7500  0.7479  1.0
]