data_[Sn10Te12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6320]
_cell_length_b [13.2803]
_cell_length_c [7.7137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn5Te6]
_chemical_formula_sum '[Sn10 Te12]'
_cell_volume [737.3368]
_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  4  0.0000  0.1752  0.5000  1
  Sn  Sn1  4  0.0000  0.3389  0.0000  1
  Sn  Sn2  2  0.0000  0.5000  0.5000  1
  Te  Te3  8  0.2478  0.1656  0.2476  1
  Te  Te4  4  0.2500  0.0000  0.7496  1
]