data_[Sm12Sb2Te4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  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 [18.9612]
_cell_length_b [4.3016]
_cell_length_c [8.7580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SbTe2As3]
_chemical_formula_sum '[Sm12 Sb2 Te4 As6]'
_cell_volume [692.0166]
_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  0.0052  0.0000  0.7422  1.0
  Sm  Sm1  4  0.1598  0.5000  0.6006  1.0
  Sm  Sm2  4  0.1702  0.5000  0.0674  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1677  0.0000  0.3361  1.0
  As  As5  4  0.1673  0.0000  0.8336  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]