data_[Sm2Cd6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5503]
_cell_length_b [5.9633]
_cell_length_c [7.6032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmCd3Au]
_chemical_formula_sum '[Sm2 Cd6 Au2]'
_cell_volume [236.4601]
_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  0.2654  0.2500  0.3718  1
  Cd  Cd1  4  0.3073  0.0080  0.8028  1
  Cd  Cd2  2  0.1476  0.7500  0.0823  1
  Au  Au3  2  0.1630  0.7500  0.4552  1
]