data_LiBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   125.21
_cell_angle_beta   125.21
_cell_angle_gamma   81.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Te
_chemical_formula_sum   'Li1 Bi2 Te1'
_cell_volume   116.26
_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  Li2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.29  1.0
  Bi  Bi1  1  0.0  0.6  0.15  1.0
  Te  Te3  1  0.6  0.0  0.15  1.0

data_LiBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.65
_cell_angle_alpha   117.39
_cell_angle_beta   117.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi2Te
_chemical_formula_sum   'Li1 Bi2 Te1'
_cell_volume   116.26
_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
  Bi  Bi1  1  0.45  0.6  0.45  1.0
  Bi  Bi2  1  0.71  0.0  0.71  1.0
  Te  Te3  1  0.85  0.0  0.45  1.0

Li Bi Bi Te
Li Bi Bi Te 0 1 o o o 1 3 - o o 1 2 o - o 