data_Fe2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.89
_cell_angle_alpha   100.9
_cell_angle_beta   100.9
_cell_angle_gamma   43.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeW
_chemical_formula_sum   'Fe2 Te1 W1'
_cell_volume   61.21
_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  0.86  0.0  0.43  1.0
  Fe  Fe1  1  0.19  0.0  0.36  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.52  0.0  0.4  1.0

data_Fe2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.32
_cell_length_c   4.89
_cell_angle_alpha   100.9
_cell_angle_beta   90.0
_cell_angle_gamma   111.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeW
_chemical_formula_sum   'Fe2 Te1 W1'
_cell_volume   61.21
_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  0.14  0.57  1.0
  Fe  Fe1  1  0.0  0.81  0.64  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.48  0.6  1.0

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