data_[Sm2Al3Zn1]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6979]
_cell_length_b [4.5461]
_cell_length_c [7.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2Al3Zn]
_chemical_formula_sum '[Sm2 Al3 Zn1]'
_cell_volume [132.2634]
_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  1  0.0000  0.0000  0.5006  1.0
  Sm  Sm1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  1  0.5000  0.0000  0.1710  1.0
  Al  Al3  1  0.5000  0.0000  0.8339  1.0
  Al  Al4  1  0.5000  0.5000  0.6624  1.0
  Zn  Zn5  1  0.5000  0.5000  0.3321  1.0
]