data_[Sr6Cd6Sn6]
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 [P2_1/m]
_cell_length_a [7.9421]
_cell_length_b [4.9542]
_cell_length_c [13.6028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCdSn]
_chemical_formula_sum '[Sr6 Cd6 Sn6]'
_cell_volume [535.2244]
_cell_formula_units_Z [6]
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  2  0.0003  0.7500  0.6956  1
  Sr  Sr1  2  0.3354  0.7500  0.9217  1
  Sr  Sr2  2  0.4927  0.7500  0.6278  1
  Cd  Cd3  2  0.0148  0.2500  0.9001  1
  Cd  Cd4  2  0.1660  0.2500  0.5446  1
  Cd  Cd5  2  0.3374  0.7500  0.2101  1
  Sn  Sn6  2  0.2209  0.7500  0.4263  1
  Sn  Sn7  2  0.2277  0.2500  0.0912  1
  Sn  Sn8  2  0.2874  0.2500  0.7507  1
]