data_CdSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.33
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiTe2
_chemical_formula_sum   'Cd1 Si1 Te2'
_cell_volume   102.65
_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
  Cd  Cd0  1  0.15  0.0  0.88  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.18  0.17  0.86  1.0
  Te  Te3  1  0.12  0.17  0.91  1.0

data_CdSiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.33
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiTe2
_chemical_formula_sum   'Cd1 Si1 Te2'
_cell_volume   102.65
_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
  Cd  Cd0  1  0.15  0.0  0.88  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.12  0.17  0.91  1.0
  Te  Te3  1  0.18  0.17  0.86  1.0

Cd Si Te Te