data_[Sn10Te2As8]
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 [P3m1]
_cell_length_a [4.1627]
_cell_length_b [4.1627]
_cell_length_c [45.7941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sn5TeAs4]
_chemical_formula_sum '[Sn10 Te2 As8]'
_cell_volume [687.2122]
_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  1  0.3333  0.6667  0.0079  1
  Sn  Sn1  1  0.3333  0.6667  0.2249  1
  Sn  Sn2  1  0.3333  0.6667  0.4444  1
  Sn  Sn3  1  0.3333  0.6667  0.6354  1
  Sn  Sn4  1  0.3333  0.6667  0.8147  1
  Sn  Sn5  1  0.6667  0.3333  0.1293  1
  Sn  Sn6  1  0.6667  0.3333  0.3381  1
  Sn  Sn7  1  0.6667  0.3333  0.5318  1
  Sn  Sn8  1  0.6667  0.3333  0.7253  1
  Sn  Sn9  1  0.6667  0.3333  0.9207  1
  Te  Te10  1  0.3333  0.6667  0.0919  1
  Te  Te11  1  0.3333  0.6667  0.3003  1
  As  As12  1  0.3333  0.6667  0.5029  1
  As  As13  1  0.3333  0.6667  0.6975  1
  As  As14  1  0.3333  0.6667  0.8941  1
  As  As15  1  0.6667  0.3333  0.1973  1
  As  As16  1  0.6667  0.3333  0.4178  1
  As  As17  1  0.6667  0.3333  0.6085  1
  As  As18  1  0.6667  0.3333  0.7861  1
  As  As19  1  0.6667  0.3333  0.9791  1
]