data_[Mn2Re2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.1827]
_cell_length_b [3.0513]
_cell_length_c [8.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnReCl2]
_chemical_formula_sum '[Mn2 Re2 Cl4]'
_cell_volume [163.5173]
_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
[
  Mn  Mn0  2  0.4844  0.0000  0.2864  1
  Re  Re1  2  0.2586  0.5000  0.4525  1
  Cl  Cl2  2  0.0209  0.0000  0.0898  1
  Cl  Cl3  2  0.2361  0.0000  0.6714  1
]