data_[Cr4Te8I4]
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 [Cc]
_cell_length_a [10.4603]
_cell_length_b [9.8699]
_cell_length_c [7.2626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CrTe2I]
_chemical_formula_sum '[Cr4 Te8 I4]'
_cell_volume [538.7420]
_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
[
  Cr  Cr0  4  0.3163  0.0827  0.8374  1
  Te  Te1  4  0.0665  0.0158  0.3326  1
  Te  Te2  4  0.1181  0.2858  0.4801  1
  I  I3  4  0.4919  0.1337  0.3527  1
]