data_[Sm4Al6Cu4]
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 [C2/m]
_cell_length_a [10.7099]
_cell_length_b [4.1298]
_cell_length_c [7.1984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Al3Cu2]
_chemical_formula_sum '[Sm4 Al6 Cu4]'
_cell_volume [275.5399]
_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  4  0.1326  0.0000  0.7733  1.0
  Al  Al1  4  0.1448  0.5000  0.4351  1.0
  Al  Al2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.1404  0.0000  0.2036  1.0
]