data_[Sm10Ti10]
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 [Amm2]
_cell_length_a [4.9792]
_cell_length_b [18.6691]
_cell_length_c [5.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmTi]
_chemical_formula_sum '[Sm10 Ti10]'
_cell_volume [502.4163]
_cell_formula_units_Z [10]
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  4  0.0000  0.1831  0.6701  1
  Sm  Sm1  4  0.5000  0.1741  0.2148  1
  Sm  Sm2  2  0.0000  0.0000  0.5766  1
  Ti  Ti3  4  0.0000  0.0744  0.0901  1
  Ti  Ti4  4  0.5000  0.0750  0.7827  1
  Ti  Ti5  2  0.5000  0.0000  0.2413  1
]