data_[Sr6Al4In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3866]
_cell_length_b [4.3249]
_cell_length_c [5.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Al2In3]
_chemical_formula_sum '[Sr6 Al4 In6]'
_cell_volume [495.1079]
_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  0.1516  0.0000  0.5756  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.2360  0.0000  0.1336  1.0
  In  In3  4  0.1395  0.5000  0.0745  1.0
  In  In4  2  0.0000  0.5000  0.5000  1.0
]