data_[Mn2Cd2Cu8Sn4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  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 [C2]
_cell_length_a [12.9753]
_cell_length_b [5.8467]
_cell_length_c [11.6887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnCdCu4(SnSe4)2]
_chemical_formula_sum '[Mn2 Cd2 Cu8 Sn4 Se16]'
_cell_volume [792.1469]
_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
[
  Mn  Mn0  2  0.0000  0.0001  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0002  0.5000  1.0
  Cu  Cu2  4  0.2495  0.4992  0.1243  1.0
  Cu  Cu3  4  0.2496  0.0008  0.3743  1.0
  Sn  Sn4  4  0.0000  0.5002  0.7518  1.0
  Se  Se5  4  0.1354  0.7572  0.9460  1.0
  Se  Se6  4  0.1356  0.2434  0.1893  1.0
  Se  Se7  4  0.1425  0.2551  0.6993  1.0
  Se  Se8  4  0.1427  0.7439  0.4437  1.0
]