data_[Cr3Te2I3]
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 [P1]
_cell_length_a [7.0471]
_cell_length_b [7.1321]
_cell_length_c [19.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.2812]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr3Te2I3]
_chemical_formula_sum '[Cr3 Te2 I3]'
_cell_volume [958.7545]
_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
[
  Cr  Cr0  1  0.0753  0.4367  0.4634  1
  Cr  Cr1  1  0.1090  0.9160  0.5106  1
  Cr  Cr2  1  0.4683  0.6312  0.5219  1
  Te  Te3  1  0.2880  0.7322  0.4102  1
  Te  Te4  1  0.8388  0.6276  0.5368  1
  I  I5  1  0.3113  0.8184  0.6272  1
  I  I6  1  0.3807  0.2494  0.5003  1
  I  I7  1  0.8761  0.1081  0.4295  1
]