data_[Li2Cd4Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6773]
_cell_length_b [7.5729]
_cell_length_c [7.0657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiCd2SnSe4]
_chemical_formula_sum '[Li2 Cd4 Sn2 Se8]'
_cell_volume [464.3053]
_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
[
  Li  Li0  2  0.0000  0.8437  0.5042  1.0
  Cd  Cd1  4  0.2490  0.6666  0.9993  1.0
  Sn  Sn2  2  0.0000  0.1794  0.9922  1.0
  Se  Se3  4  0.2254  0.6691  0.3799  1.0
  Se  Se4  2  0.0000  0.1578  0.3789  1.0
  Se  Se5  2  0.0000  0.8391  0.8664  1.0
]