data_[Re3As4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2848]
_cell_length_b [8.8095]
_cell_length_c [19.2534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.7892]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Re3(As2I)2]
_chemical_formula_sum '[Re3 As4 I2]'
_cell_volume [711.4307]
_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
[
  Re  Re0  1  0.3720  0.0838  0.5030  1
  Re  Re1  1  0.5251  0.4038  0.5068  1
  Re  Re2  1  0.9423  0.2590  0.4661  1
  As  As3  1  0.1823  0.2539  0.5925  1
  As  As4  1  0.4422  0.2382  0.3901  1
  As  As5  1  0.7937  0.9612  0.5613  1
  As  As6  1  0.8611  0.9685  0.4331  1
  I  I7  1  0.1098  0.5702  0.4360  1
  I  I8  1  0.6477  0.6170  0.6110  1
]