data_[Sm4Y2Er2]
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 [P-1]
_cell_length_a [6.2057]
_cell_length_b [6.2186]
_cell_length_c [7.1715]
_cell_angle_alpha [106.6253]
_cell_angle_beta [90.0860]
_cell_angle_gamma [99.4192]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2YEr]
_chemical_formula_sum '[Sm4 Y2 Er2]'
_cell_volume [261.2714]
_cell_formula_units_Z [2]
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  0.1233  0.2515  0.4373  1.0
  Sm  Sm1  2  0.1245  0.2507  0.9382  1.0
  Y  Y2  2  0.3764  0.7506  0.3121  1.0
  Er  Er3  2  0.3751  0.7515  0.8132  1.0
]