data_Li2ZrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.82
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrTe
_chemical_formula_sum   'Li2 Zr1 Te1'
_cell_volume   88.49
_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  0.12  0.91  0.12  1.0
  Li  Li1  1  1.0  0.0  0.38  1.0
  Zr  Zr3  1  0.8  0.0  0.54  1.0
  Te  Te2  1  0.66  0.91  0.31  1.0

data_Li2ZrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.82
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrTe
_chemical_formula_sum   'Li2 Zr1 Te1'
_cell_volume   88.49
_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  0.12  0.91  0.12  1.0
  Li  Li1  1  1.0  0.0  0.38  1.0
  Zr  Zr2  1  0.8  0.0  0.54  1.0
  Te  Te3  1  0.66  0.91  0.31  1.0

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