data_[Sm4Bi4Te12]
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 [Cmc2_1]
_cell_length_a [4.4468]
_cell_length_b [22.4802]
_cell_length_c [7.7745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmBiTe3]
_chemical_formula_sum '[Sm4 Bi4 Te12]'
_cell_volume [777.1723]
_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  0.0000  0.1646  0.4896  1.0
  Bi  Bi1  4  0.0000  0.3496  0.4929  1.0
  Te  Te2  4  0.0000  0.0811  0.8191  1.0
  Te  Te3  4  0.0000  0.2506  0.1616  1.0
  Te  Te4  4  0.0000  0.4143  0.8308  1.0
]