data_Al2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeAs
_chemical_formula_sum   'Al2 Te1 As1'
_cell_volume   89.48
_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
  Al  Al0  1  0.9  0.14  0.97  1.0
  Al  Al1  1  0.9  0.86  0.97  1.0
  Te  Te3  1  0.9  0.0  0.0  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_Al2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   107.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TeAs
_chemical_formula_sum   'Al2 Te1 As1'
_cell_volume   89.48
_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
  Al  Al0  1  0.97  0.9  0.14  1.0
  Al  Al1  1  0.97  0.9  0.86  1.0
  Te  Te2  1  -0.0  0.9  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Al Al Te As