data_[Ba4Cd4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1888]
_cell_length_b [5.2948]
_cell_length_c [8.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.1213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCdSn]
_chemical_formula_sum '[Ba4 Cd4 Sn4]'
_cell_volume [395.9949]
_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
[
  Ba  Ba0  4  0.0458  0.5000  0.2953  1.0
  Cd  Cd1  4  0.1591  0.0000  0.7252  1.0
  Sn  Sn2  4  0.1612  0.0000  0.1018  1.0
]