data_LiTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeAs
_chemical_formula_sum   'Li1 Te1 As1'
_cell_volume   78.29
_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  0.3  1.0
  Te  Te2  1  0.34  0.35  0.12  1.0
  As  As0  1  1.0  0.7  0.85  1.0

data_LiTeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeAs
_chemical_formula_sum   'Li1 Te1 As1'
_cell_volume   78.29
_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  0.3  0.0  0.0  1.0
  Te  Te1  1  0.12  0.34  0.35  1.0
  As  As2  1  0.85  1.0  0.7  1.0

Li Te As
Li Te As 0 1 o o o 0 2 - - o 0 2 - - - 1 2 o o - 1 2 - o - 1 2 - - - 