data_[Cu4Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4099]
_cell_length_b [13.0935]
_cell_length_c [6.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cu2SnTe3]
_chemical_formula_sum '[Cu4 Sn2 Te6]'
_cell_volume [353.0115]
_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
[
  Cu  Cu0  4  0.0000  0.1703  0.2605  1.0
  Sn  Sn1  2  0.0000  0.5000  0.2338  1.0
  Te  Te2  4  0.0000  0.3197  0.9812  1.0
  Te  Te3  2  0.0000  0.0000  0.0406  1.0
]