data_[Sm2Al6Cu6]
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 [P2_1/m]
_cell_length_a [6.7903]
_cell_length_b [4.1503]
_cell_length_c [8.9049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(AlCu)3]
_chemical_formula_sum '[Sm2 Al6 Cu6]'
_cell_volume [235.3248]
_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  0.3844  0.7500  0.7537  1
  Al  Al1  2  0.0115  0.7500  0.3888  1
  Al  Al2  2  0.0965  0.2500  0.1950  1
  Al  Al3  2  0.2674  0.7500  0.0714  1
  Cu  Cu4  2  0.1498  0.2500  0.9165  1
  Cu  Cu5  2  0.2543  0.2500  0.4848  1
  Cu  Cu6  2  0.3661  0.7500  0.3680  1
]