data_[Sm4Cd5Au2]
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/m]
_cell_length_a [7.7365]
_cell_length_b [3.7263]
_cell_length_c [10.0031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Cd5Au2]
_chemical_formula_sum '[Sm4 Cd5 Au2]'
_cell_volume [287.6218]
_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  0.1652  0.5000  0.8674  1.0
  Sm  Sm1  2  0.2450  0.5000  0.4455  1.0
  Cd  Cd2  2  0.1914  0.0000  0.1551  1.0
  Cd  Cd3  2  0.4495  0.0000  0.6971  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0651  0.0000  0.6392  1.0
]