data_LiCrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.82
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrTe2
_chemical_formula_sum   'Li1 Cr1 Te2'
_cell_volume   87.22
_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  0.0  0.0  0.02  1.0
  Cr  Cr0  1  0.75  0.91  0.21  1.0
  Te  Te2  1  0.75  0.91  0.78  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0

data_LiCrTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.82
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrTe2
_chemical_formula_sum   'Li1 Cr1 Te2'
_cell_volume   87.22
_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  0.02  1.0
  Cr  Cr1  1  0.75  0.91  0.21  1.0
  Te  Te2  1  0.0  0.0  0.33  1.0
  Te  Te3  1  0.75  0.91  0.78  1.0

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