data_LiScTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.7
_cell_angle_alpha   99.42
_cell_angle_beta   99.42
_cell_angle_gamma   119.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScTc2
_chemical_formula_sum   'Li1 Sc1 Tc2'
_cell_volume   61.91
_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
  Sc  Sc1  1  0.65  0.0  0.0  1.0
  Tc  Tc2  1  0.89  0.72  0.28  1.0
  Tc  Tc3  1  0.89  0.28  0.28  1.0

data_LiScTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.11
_cell_length_c   5.28
_cell_angle_alpha   115.79
_cell_angle_beta   99.42
_cell_angle_gamma   100.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScTc2
_chemical_formula_sum   'Li1 Sc1 Tc2'
_cell_volume   61.91
_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
  Sc  Sc1  1  0.0  0.0  0.65  1.0
  Tc  Tc2  1  0.56  0.28  0.17  1.0
  Tc  Tc3  1  0.99  0.72  0.6  1.0

Li Sc Tc Tc