data_[Sm6Er26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9624]
_cell_length_b [9.9706]
_cell_length_c [9.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm3Er13]
_chemical_formula_sum '[Sm6 Er26]'
_cell_volume [991.9082]
_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  4  0.2504  0.0000  0.0006  1
  Sm  Sm1  2  0.0000  0.0000  0.7487  1
  Er  Er2  8  0.2510  0.2495  0.2500  1
  Er  Er3  4  0.0000  0.2485  0.4999  1
  Er  Er4  4  0.2515  0.0000  0.4993  1
  Er  Er5  4  0.5000  0.2491  0.5001  1
  Er  Er6  2  0.0000  0.0000  0.2514  1
  Er  Er7  2  0.5000  0.0000  0.2514  1
  Er  Er8  2  0.5000  0.0000  0.7488  1
]