data_[Sm4Er16Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1083]
_cell_length_b [5.4307]
_cell_length_c [6.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Er8Al]
_chemical_formula_sum '[Sm4 Er16 Al2]'
_cell_volume [662.1666]
_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  0.2426  0.0000  0.3324  1.0
  Er  Er1  4  0.0424  0.0000  0.2555  1.0
  Er  Er2  4  0.0774  0.5000  0.6038  1.0
  Er  Er3  4  0.1529  0.0000  0.8129  1.0
  Er  Er4  4  0.1568  0.5000  0.1235  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]