data_[Sm2Al1In1Cu6]
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
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2657]
_cell_length_b [6.4086]
_cell_length_c [6.5073]
_cell_angle_alpha [114.2250]
_cell_angle_beta [99.9072]
_cell_angle_gamma [108.2789]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2AlInCu6]
_chemical_formula_sum '[Sm2 Al1 In1 Cu6]'
_cell_volume [178.3128]
_cell_formula_units_Z [1]
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  0.1078  0.6176  0.3127  1
  Al  Al1  1  0.5000  0.5000  0.0000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Cu  Cu3  2  0.2574  0.1544  0.5077  1
  Cu  Cu4  2  0.4872  0.0691  0.8399  1
  Cu  Cu5  2  0.4931  0.6409  0.7030  1
]