data_LiTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   154.92
_cell_angle_beta   154.65
_cell_angle_gamma   35.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Cl
_chemical_formula_sum   'Li1 Te2 Cl1'
_cell_volume   134.41
_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  Li1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.99  0.8  1.0
  Te  Te3  1  0.97  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.61  1.0

data_LiTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.97
_cell_length_c   9.05
_cell_angle_alpha   102.67
_cell_angle_beta   102.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Cl
_chemical_formula_sum   'Li1 Te2 Cl1'
_cell_volume   134.41
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.81  0.84  1.0
  Te  Te2  1  0.01  0.81  0.81  1.0
  Cl  Cl3  1  0.0  0.61  0.61  1.0

Li Te Te Cl
Li Te Te Cl 0 2 - o - 0 1 o - - 1 2 - + o 1 3 o + o 2 3 + o o 