data_[Sm5Er3]
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 [Pmm2]
_cell_length_a [3.6028]
_cell_length_b [5.7728]
_cell_length_c [12.7783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm5Er3]
_chemical_formula_sum '[Sm5 Er3]'
_cell_volume [265.7660]
_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  0.0000  0.4631  1.0
  Sm  Sm1  1  0.0000  0.0000  0.9549  1.0
  Sm  Sm2  1  0.0000  0.5000  0.2936  1.0
  Sm  Sm3  1  0.5000  0.0000  0.2101  1.0
  Sm  Sm4  1  0.5000  0.5000  0.0364  1.0
  Er  Er5  1  0.0000  0.5000  0.7888  1.0
  Er  Er6  1  0.5000  0.0000  0.7079  1.0
  Er  Er7  1  0.5000  0.5000  0.5453  1.0
]