data_[Sr12In36Ga6Sn6]
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
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5698]
_cell_length_b [7.5698]
_cell_length_c [38.4039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2In6GaSn]
_chemical_formula_sum '[Sr12 In36 Ga6 Sn6]'
_cell_volume [1905.7845]
_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  6  0.0000  0.0000  0.1028  1
  Sr  Sr1  6  0.0000  0.0000  0.2780  1
  In  In2  18  0.0539  0.5270  0.3055  1
  In  In3  18  0.0642  0.5321  0.8620  1
  Ga  Ga4  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga5  3  0.0000  0.0000  0.0000  1
  Sn  Sn6  6  0.0000  0.0000  0.4250  1
]