data_[Sm4Cu2Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4192]
_cell_length_b [3.8715]
_cell_length_c [8.6985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Cu2Au5]
_chemical_formula_sum '[Sm4 Cu2 Au5]'
_cell_volume [249.7646]
_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  2  0.2137  0.5000  0.8645  1.0
  Sm  Sm1  2  0.2574  0.5000  0.3931  1.0
  Cu  Cu2  2  0.0671  0.0000  0.6259  1.0
  Au  Au3  2  0.1346  0.0000  0.1317  1.0
  Au  Au4  2  0.4195  0.0000  0.6518  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]