data_LiFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   122.41
_cell_angle_beta   122.41
_cell_angle_gamma   85.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Te
_chemical_formula_sum   'Li1 Fe2 Te1'
_cell_volume   56.5
_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
  Fe  Fe0  1  0.0  0.0  0.2  1.0
  Fe  Fe1  1  0.1  0.0  0.6  1.0
  Te  Te3  1  0.0  0.1  0.6  1.0

data_LiFe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.36
_cell_angle_alpha   118.8
_cell_angle_beta   118.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Te
_chemical_formula_sum   'Li1 Fe2 Te1'
_cell_volume   56.5
_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
  Fe  Fe1  1  0.4  0.0  0.5  1.0
  Fe  Fe2  1  0.8  0.0  0.8  1.0
  Te  Te3  1  0.5  0.1  0.5  1.0

Li Fe Fe Te
Li Fe Fe Te 0 1 o o o 2 3 o o o 