data_TaTe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   147.96
_cell_angle_beta   133.81
_cell_angle_gamma   57.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2W
_chemical_formula_sum   'Ta1 Te2 W1'
_cell_volume   81.17
_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
  Ta  Ta0  1  0.0  0.0  0.67  1.0
  Te  Te1  1  0.65  0.0  0.08  1.0
  Te  Te2  1  0.0  0.0  0.6  1.0
  W  W3  1  0.0  0.34  0.13  1.0

data_TaTe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.69
_cell_length_c   5.98
_cell_angle_alpha   113.1
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2W
_chemical_formula_sum   'Ta1 Te2 W1'
_cell_volume   81.17
_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
  Ta  Ta0  1  0.0  0.67  0.67  1.0
  Te  Te1  1  0.0  0.08  0.43  1.0
  Te  Te2  1  0.0  0.6  0.6  1.0
  W  W3  1  0.66  0.78  0.78  1.0

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