data_[Cr2Te2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [6.0710]
_cell_length_b [4.6618]
_cell_length_c [8.2108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrTeI]
_chemical_formula_sum '[Cr2 Te2 I2]'
_cell_volume [229.1209]
_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
[
  Cr  Cr0  2  0.3572  0.5000  0.5182  1
  Te  Te1  2  0.2106  0.0000  0.6072  1
  I  I2  2  0.2867  0.5000  0.1932  1
]