data_Te3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.55
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Se
_chemical_formula_sum   'Te3 Se1'
_cell_volume   118.82
_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
  Te  Te1  1  0.35  0.28  0.28  1.0
  Te  Te2  1  0.66  0.0  0.64  1.0
  Te  Te3  1  0.98  0.28  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Te3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.94
_cell_length_c   5.52
_cell_angle_alpha   107.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Se
_chemical_formula_sum   'Te3 Se1'
_cell_volume   118.82
_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
  Te  Te0  1  0.0  0.34  0.36  1.0
  Te  Te1  1  0.72  0.02  1.0  1.0
  Te  Te2  1  0.72  0.65  0.72  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Te Te Te Se