data_[Sr12Ga4Si8]
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 [P2_1/c]
_cell_length_a [8.4073]
_cell_length_b [9.6410]
_cell_length_c [9.9119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3GaSi2]
_chemical_formula_sum '[Sr12 Ga4 Si8]'
_cell_volume [747.9757]
_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  0.2249  0.6019  0.4494  1
  Sr  Sr1  4  0.2630  0.5286  0.8442  1
  Sr  Sr2  4  0.2943  0.1860  0.6707  1
  Ga  Ga3  4  0.0810  0.6105  0.0825  1
  Si  Si4  4  0.0696  0.2009  0.8582  1
  Si  Si5  4  0.3911  0.6328  0.1829  1
]