data_[Cd1Fe1Cu4Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-42m]
_cell_length_a [5.8467]
_cell_length_b [5.8467]
_cell_length_c [11.5286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [111]
_chemical_formula_structural [CdFeCu4(SnSe4)2]
_chemical_formula_sum '[Cd1 Fe1 Cu4 Sn2 Se8]'
_cell_volume [394.0894]
_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
[
  Cd  Cd0  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2575  1.0
  Sn  Sn3  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  4  0.2528  0.2528  0.1444  1.0
  Se  Se6  4  0.2650  0.2650  0.6301  1.0
]