data_[Sr16In2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4925]
_cell_length_b [5.7479]
_cell_length_c [8.0331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8InSn2]
_chemical_formula_sum '[Sr16 In2 Sn4]'
_cell_volume [902.5417]
_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  0.0301  0.0000  0.7858  1.0
  Sr  Sr1  4  0.0969  0.5000  0.4458  1.0
  Sr  Sr2  4  0.1638  0.5000  0.9528  1.0
  Sr  Sr3  4  0.2019  0.0000  0.2996  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.1892  0.0000  0.7065  1.0
]