data_[Sm4Al6Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5090]
_cell_length_b [4.5445]
_cell_length_c [7.3957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm2Al3Cu]
_chemical_formula_sum '[Sm4 Al6 Cu2]'
_cell_volume [256.1317]
_cell_formula_units_Z [2]
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  0.0405  0.5000  0.2879  1
  Sm  Sm1  2  0.4532  0.0000  0.6999  1
  Al  Al2  2  0.1617  0.0000  0.0979  1
  Al  Al3  2  0.3284  0.5000  0.8862  1
  Al  Al4  2  0.3489  0.5000  0.3015  1
  Cu  Cu5  2  0.1673  0.0000  0.7266  1
]