data_[Sm3Ga24Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.0141]
_cell_length_b [9.0141]
_cell_length_c [8.9712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Sm(Ga2Cu)4]
_chemical_formula_sum '[Sm3 Ga24 Cu12]'
_cell_volume [631.2840]
_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  2  0.3333  0.6667  0.5000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  6  0.0000  0.2971  0.5000  1
  Ga  Ga3  6  0.0000  0.3464  0.0000  1
  Ga  Ga4  6  0.0000  0.5000  0.2745  1
  Ga  Ga5  4  0.3333  0.6667  0.1458  1
  Ga  Ga6  2  0.0000  0.0000  0.3476  1
  Cu  Cu7  12  0.1670  0.3339  0.2407  1
]