data_TaFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.98
_cell_angle_alpha   93.21
_cell_angle_beta   93.21
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeTe2
_chemical_formula_sum   'Ta1 Fe1 Te2'
_cell_volume   100.56
_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  Ta1  1  0.89  0.0  0.9  1.0
  Fe  Fe0  1  0.24  0.0  0.98  1.0
  Te  Te2  1  0.6  0.0  0.02  1.0
  Te  Te3  1  0.25  0.0  0.55  1.0

data_TaFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   7.07
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   93.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaFeTe2
_chemical_formula_sum   'Ta2 Fe2 Te4'
_cell_volume   201.22
_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
  Ta  Ta0  2  0.39  0.5  0.9  1.0
  Fe  Fe1  2  0.24  0.0  0.98  1.0
  Te  Te2  2  0.1  0.5  0.02  1.0
  Te  Te3  2  0.25  0.0  0.55  1.0

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