data_[Sm12Ge4Te6As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0352]
_cell_length_b [4.3212]
_cell_length_c [8.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge2Te3As]
_chemical_formula_sum '[Sm12 Ge4 Te6 As2]'
_cell_volume [700.4498]
_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  0.0073  0.0000  0.2366  1.0
  Sm  Sm1  4  0.1618  0.5000  0.1006  1.0
  Sm  Sm2  4  0.1726  0.5000  0.5679  1.0
  Ge  Ge3  4  0.1663  0.0000  0.3323  1.0
  Te  Te4  4  0.1657  0.0000  0.8338  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  2  0.0000  0.5000  0.0000  1.0
]