data_[Sm4Y5Er3]
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 [6.1902]
_cell_length_b [7.1482]
_cell_length_c [8.7450]
_cell_angle_alpha [89.9406]
_cell_angle_beta [89.9866]
_cell_angle_gamma [89.9255]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm4Y5Er3]
_chemical_formula_sum '[Sm4 Y5 Er3]'
_cell_volume [386.9540]
_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  2  0.1671  0.0001  0.1657  1
  Sm  Sm1  2  0.3342  0.7495  0.8317  1
  Y  Y2  2  0.0013  0.2515  0.4999  1
  Y  Y3  2  0.1682  0.5002  0.1673  1
  Y  Y4  1  0.5000  0.0000  0.5000  1
  Er  Er5  2  0.3327  0.2511  0.8314  1
  Er  Er6  1  0.5000  0.5000  0.5000  1
]