data_TaTcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   147.28
_cell_angle_beta   147.28
_cell_angle_gamma   46.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcTe
_chemical_formula_sum   'Ta1 Tc1 Te1'
_cell_volume   55.34
_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  0.4  1.0
  Tc  Tc1  1  0.0  0.0  0.61  1.0
  Te  Te2  1  0.0  0.0  0.08  1.0

data_TaTcTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTcTe
_chemical_formula_sum   'Ta2 Tc2 Te2'
_cell_volume   110.68
_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  0.4  0.0  0.4  1.0
  Tc  Tc1  2  0.11  0.5  0.61  1.0
  Te  Te2  2  0.08  0.0  0.08  1.0

Ta Tc Te
Ta Tc Te 0 1 o o o 0 2 o o o 