data_LiTa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   136.54
_cell_angle_beta   136.54
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Tc
_chemical_formula_sum   'Li1 Ta2 Tc1'
_cell_volume   64.0
_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  0.91  0.0  0.2  1.0
  Ta  Ta2  1  0.0  0.0  0.39  1.0
  Tc  Tc3  1  0.0  0.91  0.2  1.0

data_LiTa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.16
_cell_angle_alpha   111.73
_cell_angle_beta   111.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Tc
_chemical_formula_sum   'Li1 Ta2 Tc1'
_cell_volume   64.0
_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  0.2  0.29  0.29  1.0
  Ta  Ta2  1  0.39  0.39  0.39  1.0
  Tc  Tc3  1  0.29  0.2  0.29  1.0

Li Ta Ta Tc