data_TeAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs3
_chemical_formula_sum   'Te2 As6'
_cell_volume   183.0
_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  Te6  1  0.36  0.94  0.52  1.0
  Te  Te7  1  0.0  0.88  0.17  1.0
  As  As0  1  0.96  0.01  0.52  1.0
  As  As1  1  0.04  0.01  0.52  1.0
  As  As2  1  0.0  0.62  0.52  1.0
  As  As3  1  0.4  0.81  0.17  1.0
  As  As4  1  0.31  0.81  0.17  1.0
  As  As5  1  0.36  0.2  0.17  1.0

data_TeAs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.69
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeAs3
_chemical_formula_sum   'Te2 As6'
_cell_volume   183.0
_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  0.17  0.18  0.53  1.0
  As  As1  2  0.17  0.78  0.6  1.0
  As  As2  2  0.17  0.82  0.21  1.0
  As  As3  2  0.17  0.86  0.6  1.0

Te Te As As As As As As
Te Te As As As As As As 0 6 o o o 0 5 o o o 0 4 o o o 0 7 o + o 1 3 o + o 1 2 - + o 1 4 o o o 1 7 o + o 2 3 + o o 2 4 + - o 2 7 + o o 3 4 o - o 3 7 o o o 4 6 o o o 4 5 o o o 5 6 o o o 5 7 o + o 6 7 o + o 