data_AlTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.91
_cell_angle_alpha   107.51
_cell_angle_beta   107.51
_cell_angle_gamma   36.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeAs2
_chemical_formula_sum   'Al1 Te1 As2'
_cell_volume   97.68
_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  0.0  0.0  0.0  1.0
  Te  Te3  1  0.87  0.0  0.33  1.0
  As  As1  1  0.23  0.0  0.25  1.0
  As  As2  1  0.52  0.0  0.41  1.0

data_AlTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.91
_cell_length_c   5.95
_cell_angle_alpha   107.51
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeAs2
_chemical_formula_sum   'Al1 Te1 As2'
_cell_volume   97.68
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.33  0.87  1.0
  As  As2  1  0.0  0.25  0.23  1.0
  As  As3  1  0.0  0.41  0.52  1.0

Al Te As As
Al Te As As 0 2 o o o 0 1 - o o 1 3 o o o 1 2 + o o 2 3 o o o 