data_[Sm4Y4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7327]
_cell_length_b [6.2125]
_cell_length_c [7.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmYI]
_chemical_formula_sum '[Sm4 Y4 I4]'
_cell_volume [385.4357]
_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  4  0.2829  0.6720  0.0061  1
  Y  Y1  4  0.0684  0.1724  0.8149  1
  I  I2  4  0.3791  0.1638  0.1554  1
]