data_[Re2Ni4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0100]
_cell_length_b [2.7778]
_cell_length_c [6.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReNi2Cl]
_chemical_formula_sum '[Re2 Ni4 Cl2]'
_cell_volume [138.7140]
_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  0.4643  0.0000  0.5878  1
  Ni  Ni1  2  0.1980  0.0000  0.7333  1
  Ni  Ni2  2  0.4269  0.5000  0.9120  1
  Cl  Cl3  2  0.4108  0.5000  0.2669  1
]