data_[Fe3As2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3106]
_cell_length_b [7.4643]
_cell_length_c [20.8038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.8163]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe3(AsCl2)2]
_chemical_formula_sum '[Fe3 As2 Cl4]'
_cell_volume [512.2710]
_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
[
  Fe  Fe0  1  0.4069  0.3054  0.4986  1
  Fe  Fe1  1  0.9434  0.5037  0.5752  1
  Fe  Fe2  1  0.9449  0.5037  0.4329  1
  As  As3  1  0.4079  0.3076  0.3868  1
  As  As4  1  0.4712  0.6439  0.5034  1
  Cl  Cl5  1  0.4049  0.2986  0.6133  1
  Cl  Cl6  1  0.8635  0.0781  0.4938  1
  Cl  Cl7  1  0.9837  0.7037  0.3585  1
  Cl  Cl8  1  0.9895  0.7348  0.6375  1
]