data_[Fe10Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1666]
_cell_length_b [2.8907]
_cell_length_c [6.0657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe5Cl]
_chemical_formula_sum '[Fe10 Cl2]'
_cell_volume [153.9460]
_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
[
  Fe  Fe0  2  0.0336  0.0000  0.5619  1
  Fe  Fe1  2  0.1948  0.5000  0.8849  1
  Fe  Fe2  2  0.2070  0.5000  0.4056  1
  Fe  Fe3  2  0.3541  0.0000  0.7104  1
  Fe  Fe4  2  0.3705  0.0000  0.2444  1
  Cl  Cl5  2  0.0067  0.0000  0.0261  1
]