data_Ta2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.08
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuTc
_chemical_formula_sum   'Ta2 Cu1 Tc1'
_cell_volume   63.93
_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  0.44  0.04  0.43  1.0
  Ta  Ta2  1  0.57  0.04  0.19  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.61  0.0  0.81  1.0

data_Ta2CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.08
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuTc
_chemical_formula_sum   'Ta2 Cu1 Tc1'
_cell_volume   63.93
_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  0.44  0.04  0.43  1.0
  Ta  Ta1  1  0.57  0.04  0.19  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.61  0.0  0.81  1.0

Ta Ta Cu Tc
Ta Ta Cu Tc 0 1 o o o 1 2 o o o 1 2 + o o 2 3 - o - 