data_[Sm4Pt4Au4]
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 [C2/m]
_cell_length_a [10.3231]
_cell_length_b [4.0538]
_cell_length_c [7.3904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmPtAu]
_chemical_formula_sum '[Sm4 Pt4 Au4]'
_cell_volume [263.1607]
_cell_formula_units_Z [4]
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  0.0529  0.5000  0.2999  1.0
  Pt  Pt1  4  0.1475  0.0000  0.6593  1.0
  Au  Au2  4  0.1614  0.0000  0.0679  1.0
]