data_Te2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   154.2
_cell_angle_beta   143.85
_cell_angle_gamma   44.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2WSe
_chemical_formula_sum   'Te2 W1 Se1'
_cell_volume   99.12
_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  0.26  0.27  1.0
  Te  Te2  1  0.63  0.0  0.46  1.0
  W  W3  1  0.0  0.0  0.73  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Te2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.52
_cell_length_c   7.29
_cell_angle_alpha   108.08
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2WSe
_chemical_formula_sum   'Te2 W1 Se1'
_cell_volume   99.12
_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  0.46  0.84  1.0
  Te  Te1  1  0.74  0.01  0.01  1.0
  W  W2  1  0.0  0.73  0.73  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Te Te W Se
Te Te W Se 0 3 o o o 1 2 + o o 2 3 o o + 