data_[Cs2Fe4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [4.1928]
_cell_length_b [16.2981]
_cell_length_c [18.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [CsFe2As3]
_chemical_formula_sum '[Cs2 Fe4 As6]'
_cell_volume [1236.6653]
_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
[
  Cs  Cs0  2  0.2500  0.2837  0.5197  1
  Fe  Fe1  2  0.2500  0.0482  0.5371  1
  Fe  Fe2  2  0.2500  0.9481  0.4439  1
  As  As3  2  0.2500  0.0943  0.4040  1
  As  As4  2  0.2500  0.5388  0.5202  1
  As  As5  2  0.2500  0.9024  0.5751  1
]