data_[Sm2Er2Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8809]
_cell_length_b [4.6632]
_cell_length_c [8.9623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmErAu6]
_chemical_formula_sum '[Sm2 Er2 Au12]'
_cell_volume [331.0693]
_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  0.0000  0.5000  0.5000  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.1185  0.0000  0.3649  1
  Au  Au3  4  0.1294  0.5000  0.8813  1
  Au  Au4  4  0.2455  0.5000  0.2508  1
]