data_[B2Te2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3662]
_cell_length_b [7.4715]
_cell_length_c [8.2349]
_cell_angle_alpha [82.1907]
_cell_angle_beta [68.7153]
_cell_angle_gamma [63.9285]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BTeI2]
_chemical_formula_sum '[B2 Te2 I4]'
_cell_volume [379.1824]
_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
[
  B  B0  1  0.1053  0.9826  0.2985  1
  B  B1  1  0.5927  0.8946  0.9337  1
  Te  Te2  1  0.2105  0.6983  0.4059  1
  Te  Te3  1  0.3009  0.8114  0.0464  1
  I  I4  1  0.4769  0.0553  0.7116  1
  I  I5  1  0.6105  0.0839  0.1049  1
  I  I6  1  0.8949  0.6157  0.8412  1
  I  I7  1  0.9188  0.2834  0.3705  1
]