data_[Sr6Ca2Sn32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.7595]
_cell_length_b [14.1279]
_cell_length_c [17.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sr3CaSn16]
_chemical_formula_sum '[Sr6 Ca2 Sn32]'
_cell_volume [1169.7259]
_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  0.2503  0.3879  1.0
  Sr  Sr1  2  0.0000  0.5000  0.6119  1.0
  Ca  Ca2  2  0.0000  0.0000  0.6121  1.0
  Sn  Sn3  4  0.0000  0.1041  0.8030  1.0
  Sn  Sn4  4  0.0000  0.1249  1.0000  1.0
  Sn  Sn5  4  0.0000  0.1458  0.1960  1.0
  Sn  Sn6  4  0.0000  0.2486  0.5901  1.0
  Sn  Sn7  4  0.0000  0.3565  0.1949  1.0
  Sn  Sn8  4  0.0000  0.3766  0.0013  1.0
  Sn  Sn9  4  0.0000  0.3953  0.8041  1.0
  Sn  Sn10  2  0.0000  0.0000  0.4115  1.0
  Sn  Sn11  2  0.0000  0.5000  0.4100  1.0
]