data_[Sm6Ga14Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2720]
_cell_length_b [27.3824]
_cell_length_c [4.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sm3Ga7Au2]
_chemical_formula_sum '[Sm6 Ga14 Au4]'
_cell_volume [503.7498]
_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  4  0.0000  0.1831  0.0000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga2  4  0.0000  0.0815  0.5000  1.0
  Ga  Ga3  4  0.0000  0.2740  0.5000  1.0
  Ga  Ga4  4  0.0000  0.4208  0.0000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.0000  1.0
  Au  Au6  4  0.0000  0.3662  0.5000  1.0
]