data_TeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   8.52
_cell_angle_alpha   97.66
_cell_angle_beta   97.66
_cell_angle_gamma   38.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2
_chemical_formula_sum   'Te2 As4'
_cell_volume   170.52
_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  0.04  0.0  0.98  1.0
  Te  Te5  1  0.13  0.0  0.26  1.0
  As  As0  1  0.03  0.0  0.38  1.0
  As  As1  1  0.79  0.0  1.0  1.0
  As  As2  1  0.74  0.0  0.09  1.0
  As  As3  1  0.05  0.0  0.57  1.0

data_TeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.71
_cell_length_c   8.52
_cell_angle_alpha   97.66
_cell_angle_beta   90.0
_cell_angle_gamma   109.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeAs2
_chemical_formula_sum   'Te2 As4'
_cell_volume   170.52
_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  Te0  1  0.0  0.87  0.74  1.0
  Te  Te1  1  0.0  0.96  0.02  1.0
  As  As2  1  0.0  0.21  0.0  1.0
  As  As3  1  0.0  0.26  0.91  1.0
  As  As4  1  0.0  0.95  0.43  1.0
  As  As5  1  0.0  0.97  0.62  1.0

Te Te As As As As