data_[Sn2Te8As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.6160]
_cell_length_b [4.0219]
_cell_length_c [18.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnTe4As]
_chemical_formula_sum '[Sn2 Te8 As2]'
_cell_volume [1039.2892]
_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
[
  Sn  Sn0  2  0.3682  0.2500  0.9863  1
  Te  Te1  2  0.0538  0.2500  0.0890  1
  Te  Te2  2  0.1955  0.2500  0.8952  1
  Te  Te3  2  0.2883  0.7500  0.0855  1
  Te  Te4  2  0.4743  0.7500  0.9016  1
  As  As5  2  0.1184  0.7500  0.9917  1
]