data_[Sr6Si6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2851]
_cell_length_b [4.2851]
_cell_length_c [33.0771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrSiSn]
_chemical_formula_sum '[Sr6 Si6 Sn6]'
_cell_volume [526.0030]
_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  3  0.0000  0.0000  0.6327  1.0
  Sr  Sr1  3  0.0000  0.0000  0.7975  1.0
  Si  Si2  3  0.0000  0.0000  0.0719  1.0
  Si  Si3  3  0.0000  0.0000  0.9073  1.0
  Sn  Sn4  3  0.0000  0.0000  0.2069  1.0
  Sn  Sn5  3  0.0000  0.0000  0.3723  1.0
]