data_[Sm10Ge2Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9627]
_cell_length_b [6.2268]
_cell_length_c [8.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5GeTe5]
_chemical_formula_sum '[Sm10 Ge2 Te10]'
_cell_volume [723.0908]
_cell_formula_units_Z [2]
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  0.1572  0.0000  0.8386  1.0
  Sm  Sm1  4  0.1573  0.0000  0.3197  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1644  0.5000  0.8264  1.0
  Te  Te5  4  0.1704  0.5000  0.3360  1.0
  Te  Te6  2  0.0000  0.0000  0.5000  1.0
]