data_Li2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   148.38
_cell_angle_beta   96.02
_cell_angle_gamma   92.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeBr
_chemical_formula_sum   'Li2 Te1 Br1'
_cell_volume   121.53
_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  0.7  0.83  0.0  1.0
  Li  Li2  1  0.0  0.33  0.3  1.0
  Te  Te3  1  0.0  0.16  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Li2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   83.98
_cell_angle_beta   74.19
_cell_angle_gamma   74.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeBr
_chemical_formula_sum   'Li2 Te1 Br1'
_cell_volume   121.53
_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  0.3  -0.0  0.03  1.0
  Li  Li1  1  0.3  0.7  0.83  1.0
  Te  Te2  1  0.0  -0.0  0.16  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Li Li Te Br