data_LiZrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   30.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrTe2
_chemical_formula_sum   'Li1 Zr1 Te2'
_cell_volume   104.57
_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  0.28  1.0
  Zr  Zr3  1  0.02  0.0  0.5  1.0
  Te  Te1  1  0.02  0.0  0.55  1.0
  Te  Te2  1  0.0  0.0  0.18  1.0

data_LiZrTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.04
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrTe2
_chemical_formula_sum   'Li1 Zr1 Te2'
_cell_volume   104.57
_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  0.72  0.0  0.72  1.0
  Zr  Zr1  1  0.5  0.02  0.5  1.0
  Te  Te2  1  0.45  0.02  0.45  1.0
  Te  Te3  1  0.82  0.0  0.82  1.0

Li Zr Te Te