data_TaCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.7
_cell_angle_alpha   101.33
_cell_angle_beta   101.33
_cell_angle_gamma   117.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuTc2
_chemical_formula_sum   'Ta1 Cu1 Tc2'
_cell_volume   59.9
_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  0.69  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.83  0.77  0.25  1.0
  Tc  Tc3  1  0.83  0.23  0.25  1.0

data_TaCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.03
_cell_length_c   5.2
_cell_angle_alpha   116.69
_cell_angle_beta   101.33
_cell_angle_gamma   97.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuTc2
_chemical_formula_sum   'Ta1 Cu1 Tc2'
_cell_volume   59.9
_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  0.69  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.02  0.77  0.61  1.0
  Tc  Tc3  1  0.47  0.23  0.06  1.0

Ta Cu Tc Tc