data_TeW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW3
_chemical_formula_sum   'Te2 W6'
_cell_volume   148.56
_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  0.66  0.81  0.37  1.0
  Te  Te1  1  0.66  0.19  0.12  1.0
  W  W2  1  0.66  0.94  0.37  1.0
  W  W3  1  0.66  0.06  0.12  1.0
  W  W4  1  0.92  0.76  0.37  1.0
  W  W5  1  0.4  0.24  0.12  1.0
  W  W6  1  0.92  0.24  0.12  1.0
  W  W7  1  0.4  0.76  0.37  1.0

data_TeW3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeW3
_chemical_formula_sum   'Te2 W6'
_cell_volume   148.56
_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  0.12  0.5  0.81  1.0
  W  W1  2  0.12  0.24  0.76  1.0
  W  W2  2  0.12  0.5  0.94  1.0
  W  W3  2  0.12  0.76  0.76  1.0

Te Te W W W W W W