data_[Re4Te8Cl44O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.7405]
_cell_length_b [9.5087]
_cell_length_c [18.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Re2Te4Cl22O]
_chemical_formula_sum '[Re4 Te8 Cl44 O2]'
_cell_volume [1867.2085]
_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  4  0.0090  0.1436  0.4348  1
  Te  Te1  4  0.2430  0.1708  0.6848  1
  Te  Te2  4  0.2637  0.6943  0.9803  1
  Cl  Cl3  4  0.0162  0.1766  0.8536  1
  Cl  Cl4  4  0.0198  0.0241  0.6685  1
  Cl  Cl5  4  0.0423  0.1932  0.0393  1
  Cl  Cl6  4  0.1857  0.1462  0.2449  1
  Cl  Cl7  4  0.2184  0.6772  0.1201  1
  Cl  Cl8  4  0.2340  0.1095  0.4853  1
  Cl  Cl9  4  0.2987  0.5597  0.4960  1
  Cl  Cl10  4  0.3010  0.6876  0.8643  1
  Cl  Cl11  4  0.3583  0.0517  0.8068  1
  Cl  Cl12  4  0.4263  0.2147  0.1904  1
  Cl  Cl13  4  0.4722  0.6397  0.0677  1
  O  O14  2  0.0000  0.0000  0.5000  1
]