data_TeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   50.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2
_chemical_formula_sum   'Te2 As4'
_cell_volume   140.68
_cell_formula_units_Z   2
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
  Te  Te4  1  0.38  0.7  0.84  1.0
  Te  Te5  1  0.38  0.3  0.28  1.0
  As  As0  1  0.66  0.27  0.84  1.0
  As  As1  1  0.11  0.73  0.28  1.0
  As  As2  1  0.11  0.27  0.84  1.0
  As  As3  1  0.66  0.73  0.28  1.0

data_TeAs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.1
_cell_length_b   5.12
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   115.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeAs2
_chemical_formula_sum   'Te2 As4'
_cell_volume   140.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.3  0.22  0.3  1.0
  As  As1  2  0.27  0.78  0.55  1.0
  As  As2  2  0.27  0.78  1.0  1.0

Te Te As As As As
Te Te As As As As 0 2 o o o 0 4 o + o 0 4 + o o 0 5 o o + 0 5 o o o 1 3 o o o 1 4 o o o 1 4 o o - 1 5 - o o 1 5 o - o 2 4 + o o 2 4 o o o 3 5 o o o 3 5 - o o 4 5 - o + 