data_[Cd4Ni2Sn2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.0097]
_cell_length_b [6.0097]
_cell_length_c [11.5694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cd2NiSnAs4]
_chemical_formula_sum '[Cd4 Ni2 Sn2 As8]'
_cell_volume [417.8413]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.5000  1
  Cd  Cd1  2  0.0000  0.5000  0.7500  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  2  0.0000  0.5000  0.2500  1
  As  As4  8  0.2178  0.2198  0.1122  1
]