data_[Sr16Al4Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1741]
_cell_length_b [5.7645]
_cell_length_c [7.9426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Al2Ga]
_chemical_formula_sum '[Sr16 Al4 Ga2]'
_cell_volume [870.7232]
_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  0.0283  0.0000  0.7925  1.0
  Sr  Sr1  4  0.0967  0.5000  0.4419  1.0
  Sr  Sr2  4  0.1656  0.5000  0.9587  1.0
  Sr  Sr3  4  0.2036  0.0000  0.3066  1.0
  Al  Al4  4  0.1808  0.0000  0.6984  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]