data_[Sm12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1220]
_cell_length_b [4.2323]
_cell_length_c [11.9360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3Te2]
_chemical_formula_sum '[Sm12 Te8]'
_cell_volume [612.3682]
_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  0.0464  0.2500  0.8759  1.0
  Sm  Sm1  4  0.1213  0.7500  0.4353  1.0
  Sm  Sm2  4  0.2135  0.2500  0.2075  1.0
  Te  Te3  4  0.0290  0.7500  0.6826  1.0
  Te  Te4  4  0.1935  0.7500  0.0044  1.0
]