data_[Sm3Ge4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2139]
_cell_length_b [4.3832]
_cell_length_c [13.3211]
_cell_angle_alpha [99.4300]
_cell_angle_beta [98.8300]
_cell_angle_gamma [90.0564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm3(GeAu)4]
_chemical_formula_sum '[Sm3 Ge4 Au4]'
_cell_volume [239.7572]
_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  0.1449  0.6474  0.2988  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.3146  0.8084  0.6211  1.0
  Ge  Ge3  2  0.4947  0.5474  0.0949  1.0
  Au  Au4  2  0.2447  0.2526  0.5049  1.0
  Au  Au5  2  0.3923  0.9068  0.8135  1.0
]