data_TeW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   8.87
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW3
_chemical_formula_sum   'Te4 W12'
_cell_volume   291.42
_cell_formula_units_Z   4
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  0.28  0.65  0.5  1.0
  Te  Te1  1  0.43  0.22  0.53  1.0
  Te  Te2  1  1.0  0.65  0.53  1.0
  Te  Te3  1  0.14  0.22  0.55  1.0
  W  W4  1  0.72  0.65  0.12  1.0
  W  W5  1  1.0  0.22  0.1  1.0
  W  W6  1  0.43  0.65  0.96  1.0
  W  W7  1  0.71  0.22  0.93  1.0
  W  W8  1  0.71  0.81  0.04  1.0
  W  W9  1  0.43  0.06  0.07  1.0
  W  W10  1  0.99  0.49  0.99  1.0
  W  W11  1  0.72  0.38  0.01  1.0
  W  W12  1  0.72  0.06  0.01  1.0
  W  W13  1  0.99  0.81  0.99  1.0
  W  W14  1  0.43  0.38  0.07  1.0
  W  W15  1  0.71  0.49  0.04  1.0

data_TeW3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.43
_cell_length_b   6.05
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeW3
_chemical_formula_sum   'Te4 W12'
_cell_volume   291.42
_cell_formula_units_Z   4
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  0.28  0.0  0.72  1.0
  Te  Te1  2  0.43  0.03  0.28  1.0
  W  W2  2  0.0  0.6  0.72  1.0
  W  W3  2  0.01  0.49  0.44  1.0
  W  W4  2  0.01  0.49  0.12  1.0
  W  W5  2  0.28  0.46  0.56  1.0
  W  W6  2  0.28  0.46  0.88  1.0
  W  W7  2  0.28  0.57  0.28  1.0

Te Te Te Te W W W W W W W W W W W W
Te Te Te Te W W W W W W W W W W W W 0 2 - o o 1 3 o o o 4 15 o o o 4 8 o o o 4 6 o o - 5 12 o o o 5 11 o o o 5 7 o o - 6 15 o o + 6 8 o o + 7 12 o o + 7 11 o o + 8 13 o o - 9 12 o o o 10 11 o o + 10 15 o o + 11 15 o o o 11 14 o o o 14 15 o o o 