data_[Sr3Ga36Cu18]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.3646]
_cell_length_b [11.3646]
_cell_length_c [8.7649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr(Ga2Cu)6]
_chemical_formula_sum '[Sr3 Ga36 Cu18]'
_cell_volume [980.3566]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  18  0.0000  0.3859  0.5000  1.0
  Ga  Ga2  18  0.0848  0.9152  0.3224  1.0
  Cu  Cu3  18  0.0451  0.5226  0.2425  1.0
]