data_AgTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.24
_cell_angle_alpha   97.9
_cell_angle_beta   97.9
_cell_angle_gamma   49.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTeAs2
_chemical_formula_sum   'Ag1 Te1 As2'
_cell_volume   97.26
_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
  Ag  Ag0  1  0.13  0.0  0.47  1.0
  Te  Te3  1  0.44  0.0  0.74  1.0
  As  As1  1  0.17  0.0  0.08  1.0
  As  As2  1  0.13  0.0  0.44  1.0

data_AgTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.23
_cell_length_c   7.24
_cell_angle_alpha   97.9
_cell_angle_beta   90.0
_cell_angle_gamma   114.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTeAs2
_chemical_formula_sum   'Ag1 Te1 As2'
_cell_volume   97.26
_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
  Ag  Ag0  1  0.0  0.87  0.53  1.0
  Te  Te1  1  0.0  0.56  0.26  1.0
  As  As2  1  0.0  0.83  0.92  1.0
  As  As3  1  0.0  0.87  0.56  1.0

Ag Te As As
Ag Te As As 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o + 2 3 o o o 