data_[Sm2Pt1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5407]
_cell_length_b [4.7524]
_cell_length_c [8.1170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2PtAu3]
_chemical_formula_sum '[Sm2 Pt1 Au3]'
_cell_volume [136.5826]
_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  0.4840  1.0
  Sm  Sm1  1  0.0000  0.5000  0.0222  1.0
  Pt  Pt2  1  0.5000  0.5000  0.3318  1.0
  Au  Au3  1  0.5000  0.0000  0.1661  1.0
  Au  Au4  1  0.5000  0.0000  0.8298  1.0
  Au  Au5  1  0.5000  0.5000  0.6662  1.0
]