data_[Sm3Bi3Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4505]
_cell_length_b [4.4505]
_cell_length_c [31.5954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmBiTe3]
_chemical_formula_sum '[Sm3 Bi3 Te9]'
_cell_volume [541.9700]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3990  1.0
  Bi  Bi1  3  0.0000  0.0000  0.5997  1.0
  Te  Te2  3  0.0000  0.0000  0.0027  1.0
  Te  Te3  3  0.0000  0.0000  0.2130  1.0
  Te  Te4  3  0.0000  0.0000  0.7855  1.0
]