data_TaFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   24.04
_cell_angle_beta   24.04
_cell_angle_gamma   24.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2Te
_chemical_formula_sum   'Ta1 Fe2 Te1'
_cell_volume   69.32
_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  Ta2  1  0.0  0.0  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0
  Fe  Fe1  1  0.0  0.0  0.75  1.0
  Te  Te3  1  0.0  0.0  0.96  1.0

data_TaFe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   3.25
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaFe2Te
_chemical_formula_sum   'Ta2 Fe4 Te2'
_cell_volume   138.65
_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  0.0  0.0  0.38  1.0
  Fe  Fe1  2  0.0  0.0  0.52  1.0
  Fe  Fe2  2  0.0  0.0  0.25  1.0
  Te  Te3  2  0.0  0.0  0.04  1.0

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