data_[Re2As3I2]
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 [Pm]
_cell_length_a [6.6982]
_cell_length_b [4.7362]
_cell_length_c [19.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Re2As3I2]
_chemical_formula_sum '[Re2 As3 I2]'
_cell_volume [605.7753]
_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  0.8561  0.5000  0.4895  1
  Re  Re1  1  0.9899  0.0000  0.5245  1
  As  As2  2  0.6398  0.2436  0.5720  1
  As  As3  1  0.1504  0.5000  0.5652  1
  I  I4  1  0.2515  0.0000  0.4193  1
  I  I5  1  0.7672  0.5000  0.3575  1
]