data_[Re2Se4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6740]
_cell_length_b [5.9009]
_cell_length_c [18.2323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReSe2Cl3]
_chemical_formula_sum '[Re2 Se4 Cl6]'
_cell_volume [1363.5603]
_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
[
  Re  Re0  2  0.1587  0.0000  0.4952  1
  Se  Se1  4  0.2368  0.2739  0.5717  1
  Cl  Cl2  4  0.0182  0.2472  0.4834  1
  Cl  Cl3  2  0.2543  0.0000  0.3945  1
]