data_[Sr6Mg6Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6786]
_cell_length_b [11.8639]
_cell_length_c [14.9062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Mg3Sn8]
_chemical_formula_sum '[Sr6 Mg6 Sn16]'
_cell_volume [827.3983]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.2062  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.1859  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn4  8  0.0000  0.3029  0.3613  1.0
  Sn  Sn5  8  0.0000  0.3614  0.1490  1.0
]