data_[Sm12Y3Er1]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1067]
_cell_length_b [5.1067]
_cell_length_c [20.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm12Y3Er]
_chemical_formula_sum '[Sm12 Y3 Er1]'
_cell_volume [531.9112]
_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  4  0.0000  0.5000  0.1240  1
  Sm  Sm1  4  0.0000  0.5000  0.3746  1
  Sm  Sm2  2  0.5000  0.5000  0.2492  1
  Sm  Sm3  1  0.5000  0.5000  0.0000  1
  Sm  Sm4  1  0.5000  0.5000  0.5000  1
  Y  Y5  2  0.0000  0.0000  0.2494  1
  Y  Y6  1  0.0000  0.0000  0.5000  1
  Er  Er7  1  0.0000  0.0000  0.0000  1
]