data_[Cs4Sr4Fe4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3571]
_cell_length_b [16.1959]
_cell_length_c [12.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsSrFeSe3]
_chemical_formula_sum '[Cs4 Sr4 Fe4 Se12]'
_cell_volume [850.1549]
_cell_formula_units_Z [4]
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  4  0.0000  0.2615  0.2500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.4609  0.7500  1.0
  Se  Se3  8  0.0000  0.3791  0.5879  1.0
  Se  Se4  4  0.0000  0.0469  0.7500  1.0
]