data_[Al2In2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.6080]
_cell_length_b [4.5899]
_cell_length_c [9.1159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [AlInSi2]
_chemical_formula_sum '[Al2 In2 Si4]'
_cell_volume [150.9588]
_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
[
  Al  Al0  2  0.0000  0.0000  0.5369  1
  In  In1  2  0.0000  0.5000  0.2471  1
  Si  Si2  2  0.0000  0.0000  0.9563  1
  Si  Si3  2  0.0000  0.5000  0.7598  1
]