data_[Sm12Bi2Te6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2546]
_cell_length_b [4.3598]
_cell_length_c [8.8521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6BiTe3As2]
_chemical_formula_sum '[Sm12 Bi2 Te6 As4]'
_cell_volume [721.1139]
_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  0.0127  0.0000  0.2564  1.0
  Sm  Sm1  4  0.1708  0.5000  0.1123  1.0
  Sm  Sm2  4  0.1750  0.5000  0.5688  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1619  0.0000  0.8331  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1688  0.0000  0.3366  1.0
]