data_[Sm4Cu2Au2]
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_1/m]
_cell_length_a [5.8306]
_cell_length_b [4.6446]
_cell_length_c [7.6748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2CuAu]
_chemical_formula_sum '[Sm4 Cu2 Au2]'
_cell_volume [193.9222]
_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  0.2139  0.7500  0.9271  1.0
  Sm  Sm1  2  0.2294  0.7500  0.4279  1.0
  Cu  Cu2  2  0.3488  0.2500  0.2058  1.0
  Au  Au3  2  0.3410  0.2500  0.7121  1.0
]