data_[Sm2Y2Tl2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0426]
_cell_length_b [3.8070]
_cell_length_c [13.9704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmYTlFe2]
_chemical_formula_sum '[Sm2 Y2 Tl2 Fe4]'
_cell_volume [215.0058]
_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  0.0000  0.0000  0.6379  1
  Y  Y1  2  0.0000  0.0000  0.3619  1
  Tl  Tl2  2  0.5000  0.0000  0.9979  1
  Fe  Fe3  2  0.5000  0.0000  0.2123  1
  Fe  Fe4  2  0.5000  0.0000  0.7900  1
]