data_ZnSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.03
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiTe2
_chemical_formula_sum   'Zn1 Si1 Te2'
_cell_volume   95.59
_cell_formula_units_Z   1
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
  Zn  Zn3  1  0.01  0.01  0.88  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.95  0.0  0.88  1.0
  Te  Te2  1  0.06  0.01  0.0  1.0

data_ZnSiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.12
_cell_length_c   5.77
_cell_angle_alpha   91.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiTe2
_chemical_formula_sum   'Zn1 Si1 Te2'
_cell_volume   95.59
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.99  0.99  0.12  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.05  0.12  1.0
  Te  Te3  1  0.99  0.94  0.0  1.0

Zn Si Te Te
Zn Si Te Te 0 2 - o o 1 3 o o o 