data_[Re2Se4Cl2]
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 [P-1]
_cell_length_a [6.0135]
_cell_length_b [6.6742]
_cell_length_c [18.8873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [106.6604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReSe2Cl]
_chemical_formula_sum '[Re2 Se4 Cl2]'
_cell_volume [726.2249]
_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  0.2220  0.5628  0.9807  1
  Se  Se1  2  0.0122  0.7720  0.0483  1
  Se  Se2  2  0.4533  0.5645  0.0817  1
  Cl  Cl3  2  0.3240  0.8220  0.8971  1
]