data_[Sm6Be9Ga3Cu36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  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 [7.5266]
_cell_length_b [7.5266]
_cell_length_c [17.7097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Be3GaCu12]
_chemical_formula_sum '[Sm6 Be9 Ga3 Cu36]'
_cell_volume [868.8325]
_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
[
  Sm  Sm0  6  0.0000  0.0000  0.3962  1
  Be  Be1  9  0.0000  0.5000  0.5000  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Cu  Cu3  18  0.0111  0.5056  0.3801  1
  Cu  Cu4  18  0.0426  0.5213  0.8579  1
]