data_[Sm2Ni2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4272]
_cell_length_b [4.4763]
_cell_length_c [9.3972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmNiSn2]
_chemical_formula_sum '[Sm2 Ni2 Sn4]'
_cell_volume [182.2413]
_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  0.1452  0.7500  0.7233  1.0
  Ni  Ni1  2  0.3232  0.7500  0.1432  1.0
  Sn  Sn2  2  0.2435  0.2500  0.0016  1.0
  Sn  Sn3  2  0.3821  0.7500  0.4102  1.0
]