data_Te7As6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   48.53
_cell_angle_beta   48.53
_cell_angle_gamma   48.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te7As6
_chemical_formula_sum   'Te7 As6'
_cell_volume   434.47
_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
  Te  Te6  1  0.1  0.9  0.85  1.0
  Te  Te7  1  0.0  0.19  0.85  1.0
  Te  Te8  1  0.9  0.9  0.85  1.0
  Te  Te9  1  0.9  0.1  0.1  1.0
  Te  Te10  1  0.1  0.1  0.1  1.0
  Te  Te11  1  0.0  0.81  0.1  1.0
  Te  Te12  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.4  1.0
  As  As1  1  0.0  0.0  0.56  1.0
  As  As2  1  0.0  0.0  0.68  1.0
  As  As3  1  0.0  0.0  0.27  1.0
  As  As4  1  0.0  0.0  0.38  1.0
  As  As5  1  0.0  0.0  0.57  1.0

data_Te7As6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   9.45
_cell_angle_alpha   65.73
_cell_angle_beta   65.73
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te7As6
_chemical_formula_sum   'Te7 As6'
_cell_volume   434.47
_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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.1  0.15  0.65  1.0
  Te  Te2  1  0.1  0.15  0.85  1.0
  Te  Te3  1  0.19  0.9  0.91  1.0
  Te  Te4  1  0.81  0.15  0.04  1.0
  Te  Te5  1  0.9  0.9  0.1  1.0
  Te  Te6  1  0.9  0.9  0.3  1.0
  As  As7  1  0.0  0.32  0.68  1.0
  As  As8  1  0.0  0.43  0.57  1.0
  As  As9  1  0.0  0.44  0.56  1.0
  As  As10  1  0.0  0.6  0.4  1.0
  As  As11  1  0.0  0.62  0.38  1.0
  As  As12  1  0.0  0.73  0.27  1.0

Te Te Te Te Te Te Te As As As As As As