data_[Sm4As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.9992]
_cell_length_b [5.9813]
_cell_length_c [8.2577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SmAsAu]
_chemical_formula_sum '[Sm4 As4 Au4]'
_cell_volume [277.1147]
_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  0.2076  0.3578  0.1632  1
  As  As1  4  0.1577  0.1521  0.5005  1
  Au  Au2  4  0.2558  0.1666  0.8281  1
]