data_TlTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTeSe
_chemical_formula_sum   'Tl1 Te1 Se1'
_cell_volume   84.62
_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
  Tl  Tl2  1  0.0  0.22  0.57  1.0
  Te  Te1  1  0.79  0.61  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_TlTeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTeSe
_chemical_formula_sum   'Tl1 Te1 Se1'
_cell_volume   84.62
_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
  Tl  Tl0  1  0.57  0.0  0.22  1.0
  Te  Te1  1  -0.0  0.79  0.61  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Tl Te Se