data_[Sr32Ga32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [12.5914]
_cell_length_b [12.5914]
_cell_length_c [12.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [SrGa]
_chemical_formula_sum '[Sr32 Ga32]'
_cell_volume [1996.2611]
_cell_formula_units_Z [32]
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  12  0.0079  0.7017  0.0601  1
  Sr  Sr1  12  0.0196  0.7088  0.5635  1
  Sr  Sr2  4  0.1865  0.1865  0.1865  1
  Sr  Sr3  4  0.1942  0.3058  0.6942  1
  Ga  Ga4  12  0.0736  0.7532  0.3099  1
  Ga  Ga5  12  0.0811  0.7634  0.8182  1
  Ga  Ga6  4  0.0526  0.4474  0.5526  1
  Ga  Ga7  4  0.0659  0.9341  0.4341  1
]