data_[Sr8Cd12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.6554]
_cell_length_b [17.4384]
_cell_length_c [8.8926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Cd3Sn4]
_chemical_formula_sum '[Sr8 Cd12 Sn16]'
_cell_volume [1032.0657]
_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
[
  Sr  Sr0  8  0.0000  0.1100  0.5891  1.0
  Cd  Cd1  8  0.2500  0.2269  0.2500  1.0
  Cd  Cd2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  8  0.0000  0.1786  0.9723  1.0
  Sn  Sn4  8  0.2500  0.0574  0.2500  1.0
]