data_[Sr5In5Sn1]
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 [P-6m2]
_cell_length_a [6.1634]
_cell_length_b [6.1634]
_cell_length_c [11.2505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sr5In5Sn]
_chemical_formula_sum '[Sr5 In5 Sn1]'
_cell_volume [370.1186]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1893  1.0
  Sr  Sr1  2  0.6667  0.3333  0.6766  1.0
  Sr  Sr2  1  0.3333  0.6667  0.0000  1.0
  In  In3  3  0.1613  0.3225  0.5000  1.0
  In  In4  2  0.3333  0.6667  0.7128  1.0
  Sn  Sn5  1  0.6667  0.3333  0.0000  1.0
]