data_LiTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   5.42
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeSe2
_chemical_formula_sum   'Li1 Te1 Se2'
_cell_volume   107.34
_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
  Li  Li0  1  0.65  0.0  0.88  1.0
  Te  Te3  1  0.85  0.71  0.99  1.0
  Se  Se1  1  0.92  0.71  0.49  1.0
  Se  Se2  1  0.56  0.0  0.6  1.0

data_LiTeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.42
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeSe2
_chemical_formula_sum   'Li1 Te1 Se2'
_cell_volume   107.34
_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
  Li  Li0  1  0.65  0.0  0.88  1.0
  Te  Te1  1  0.85  0.71  0.99  1.0
  Se  Se2  1  0.56  0.0  0.6  1.0
  Se  Se3  1  0.92  0.71  0.49  1.0

Li Te Se Se