data_FeTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2W
_chemical_formula_sum   'Fe1 Te2 W1'
_cell_volume   82.93
_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
  Fe  Fe0  1  0.0  0.0  0.07  1.0
  Te  Te1  1  0.58  0.58  0.46  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  W  W3  1  0.58  0.58  0.43  1.0

data_FeTe2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTe2W
_chemical_formula_sum   'Fe2 Te4 W2'
_cell_volume   165.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Fe  Fe0  2  0.0  0.0  0.07  1.0
  Te  Te1  2  0.0  0.0  0.73  1.0
  Te  Te2  2  0.08  0.5  0.46  1.0
  W  W3  2  0.08  0.5  0.43  1.0

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