data_[Sm2Al3In1]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6551]
_cell_length_b [4.6623]
_cell_length_c [8.1192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2Al3In]
_chemical_formula_sum '[Sm2 Al3 In1]'
_cell_volume [138.3591]
_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  0.5102  1.0
  Sm  Sm1  1  0.0000  0.5000  0.9917  1.0
  Al  Al2  1  0.5000  0.0000  0.1572  1.0
  Al  Al3  1  0.5000  0.0000  0.8321  1.0
  Al  Al4  1  0.5000  0.5000  0.6747  1.0
  In  In5  1  0.5000  0.5000  0.3341  1.0
]