data_[Sr12Ga12Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1385]
_cell_length_b [4.3884]
_cell_length_c [15.4310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ga3Si]
_chemical_formula_sum '[Sr12 Ga12 Si4]'
_cell_volume [775.9143]
_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  0.0160  0.5000  0.3886  1
  Sr  Sr1  4  0.1112  0.5000  0.9226  1
  Sr  Sr2  4  0.2398  0.5000  0.2347  1
  Ga  Ga3  4  0.0306  0.0000  0.2340  1
  Ga  Ga4  4  0.0992  0.0000  0.0784  1
  Ga  Ga5  4  0.1730  0.0000  0.5405  1
  Si  Si6  4  0.2159  0.0000  0.3841  1
]