data_[Sm1Au3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3662]
_cell_length_b [19.3990]
_cell_length_c [7.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sm(AuSe)3]
_chemical_formula_sum '[Sm1 Au3 Se3]'
_cell_volume [621.5154]
_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  1  0.7921  0.0000  0.5489  1
  Au  Au1  2  0.4143  0.0770  0.7968  1
  Au  Au2  1  0.2173  0.0000  0.2695  1
  Se  Se3  2  0.1858  0.1134  0.4807  1
  Se  Se4  1  0.6168  0.0000  0.0640  1
]