data_[Sm4Ti4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.9861]
_cell_length_b [7.0806]
_cell_length_c [5.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SmTi]
_chemical_formula_sum '[Sm4 Ti4]'
_cell_volume [197.8583]
_cell_formula_units_Z [4]
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  0.5000  0.2842  0.1635  1
  Sm  Sm1  1  0.0000  0.0000  0.0322  1
  Sm  Sm2  1  0.5000  0.0000  0.6176  1
  Ti  Ti3  2  0.0000  0.3143  0.5284  1
  Ti  Ti4  1  0.0000  0.5000  0.9577  1
  Ti  Ti5  1  0.5000  0.5000  0.6754  1
]