data_LiLa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   148.16
_cell_angle_beta   133.05
_cell_angle_gamma   57.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Tc
_chemical_formula_sum   'Li1 La2 Tc1'
_cell_volume   102.46
_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  Li2  1  0.0  0.0  0.68  1.0
  La  La0  1  0.0  0.0  1.0  1.0
  La  La1  1  0.0  0.57  0.72  1.0
  Tc  Tc3  1  0.77  0.0  0.89  1.0

data_LiLa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.14
_cell_length_c   6.45
_cell_angle_alpha   113.48
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Tc
_chemical_formula_sum   'Li1 La2 Tc1'
_cell_volume   102.46
_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  0.68  0.68  1.0
  La  La1  1  0.0  1.0  1.0  1.0
  La  La2  1  0.43  0.15  0.15  1.0
  Tc  Tc3  1  0.0  0.89  0.12  1.0

Li La La Tc