data_[Sr8Al8Ga4]
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 [12.1646]
_cell_length_b [4.4637]
_cell_length_c [11.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Al2Ga]
_chemical_formula_sum '[Sr8 Al8 Ga4]'
_cell_volume [585.5577]
_cell_formula_units_Z [4]
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  0.1088  0.0000  0.8959  1.0
  Sr  Sr1  4  0.2102  0.5000  0.6426  1.0
  Al  Al2  4  0.0352  0.0000  0.4109  1.0
  Al  Al3  4  0.1044  0.5000  0.1133  1.0
  Ga  Ga4  4  0.0597  0.5000  0.3128  1.0
]