data_[Sm4Pt2Au2]
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 [P2_1/m]
_cell_length_a [5.7981]
_cell_length_b [4.6456]
_cell_length_c [7.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2PtAu]
_chemical_formula_sum '[Sm4 Pt2 Au2]'
_cell_volume [196.9267]
_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  0.2188  0.7500  0.9351  1.0
  Sm  Sm1  2  0.2327  0.7500  0.4261  1.0
  Pt  Pt2  2  0.3272  0.2500  0.2073  1.0
  Au  Au3  2  0.3226  0.2500  0.7069  1.0
]