data_[Sm3Y5]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6188]
_cell_length_b [5.7952]
_cell_length_c [12.8455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm3Y5]
_chemical_formula_sum '[Sm3 Y5]'
_cell_volume [269.3925]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.7912  1.0
  Sm  Sm1  1  0.5000  0.0000  0.7112  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5400  1.0
  Y  Y3  1  0.0000  0.0000  0.4562  1.0
  Y  Y4  1  0.0000  0.0000  0.9601  1.0
  Y  Y5  1  0.0000  0.5000  0.2906  1.0
  Y  Y6  1  0.5000  0.0000  0.2077  1.0
  Y  Y7  1  0.5000  0.5000  0.0431  1.0
]