data_LiTa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.72
_cell_angle_alpha   100.61
_cell_angle_beta   100.61
_cell_angle_gamma   114.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Tc
_chemical_formula_sum   'Li1 Ta2 Tc1'
_cell_volume   64.74
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.96  0.22  0.28  1.0
  Ta  Ta2  1  0.96  0.78  0.28  1.0
  Tc  Tc3  1  0.85  0.0  0.0  1.0

data_LiTa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   114.68
_cell_angle_beta   100.61
_cell_angle_gamma   100.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Tc
_chemical_formula_sum   'Li1 Ta2 Tc1'
_cell_volume   64.74
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.28  0.96  0.78  1.0
  Ta  Ta2  1  0.28  0.96  0.22  1.0
  Tc  Tc3  1  0.0  0.85  0.0  1.0

Li Ta Ta Tc