data_Ta2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   127.47
_cell_angle_beta   126.41
_cell_angle_gamma   78.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuTc
_chemical_formula_sum   'Ta2 Cu1 Tc1'
_cell_volume   62.95
_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  0.07  0.0  0.86  1.0
  Ta  Ta2  1  0.0  0.1  0.76  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.62  1.0

data_Ta2CuTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.21
_cell_length_c   4.67
_cell_angle_alpha   116.79
_cell_angle_beta   116.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuTc
_chemical_formula_sum   'Ta2 Cu1 Tc1'
_cell_volume   62.95
_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  0.86  0.8  1.0
  Ta  Ta1  1  0.9  0.65  0.65  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.62  0.62  1.0

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