data_Te2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.67
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PW
_chemical_formula_sum   'Te2 P1 W1'
_cell_volume   80.94
_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  Te1  1  0.0  0.33  0.59  1.0
  Te  Te2  1  0.68  0.33  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.68  0.0  0.59  1.0

data_Te2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.67
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PW
_chemical_formula_sum   'Te2 P1 W1'
_cell_volume   80.94
_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  0.33  0.59  1.0
  Te  Te1  1  0.68  0.33  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.68  0.0  0.59  1.0

Te Te P W
Te Te P W 0 3 - o o 1 2 + o o 