data_[Sr12Ga12Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0651]
_cell_length_b [15.3650]
_cell_length_c [6.1971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3Ga3Ni2]
_chemical_formula_sum '[Sr12 Ga12 Ni8]'
_cell_volume [767.9485]
_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  8  0.0405  0.6059  0.6257  1
  Sr  Sr1  4  0.1888  0.7500  0.1238  1
  Ga  Ga2  8  0.1684  0.5404  0.1204  1
  Ga  Ga3  4  0.1590  0.2500  0.0852  1
  Ni  Ni4  8  0.1221  0.0927  0.8883  1
]