data_[Sm6Er2Au4]
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 [Pmc2_1]
_cell_length_a [5.0545]
_cell_length_b [9.1573]
_cell_length_c [7.1429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sm3ErAu2]
_chemical_formula_sum '[Sm6 Er2 Au4]'
_cell_volume [330.6121]
_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  0.0749  0.4910  1
  Sm  Sm1  2  0.0000  0.3354  0.8487  1
  Sm  Sm2  2  0.5000  0.1671  0.1516  1
  Er  Er3  2  0.5000  0.4266  0.5094  1
  Au  Au4  2  0.0000  0.3499  0.2642  1
  Au  Au5  2  0.5000  0.1574  0.7352  1
]