data_[Re1Se2Cl3]
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 [P1]
_cell_length_a [3.9528]
_cell_length_b [7.1590]
_cell_length_c [19.5697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.8312]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ReSe2Cl3]
_chemical_formula_sum '[Re1 Se2 Cl3]'
_cell_volume [552.5458]
_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  0.3115  0.7485  0.5001  1
  Se  Se1  1  0.1606  0.0629  0.4592  1
  Se  Se2  1  0.8301  0.9369  0.5483  1
  Cl  Cl3  1  0.3471  0.6627  0.6167  1
  Cl  Cl4  1  0.3770  0.7058  0.3832  1
  Cl  Cl5  1  0.8065  0.5182  0.4924  1
]