data_Li2ScTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   152.14
_cell_angle_beta   132.61
_cell_angle_gamma   55.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScTa
_chemical_formula_sum   'Li2 Sc1 Ta1'
_cell_volume   77.06
_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  0.47  0.0  0.75  1.0
  Li  Li1  1  0.0  0.45  0.63  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.38  1.0

data_Li2ScTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.89
_cell_length_c   6.09
_cell_angle_alpha   113.69
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScTa
_chemical_formula_sum   'Li2 Sc1 Ta1'
_cell_volume   77.06
_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  0.37  0.82  0.82  1.0
  Li  Li1  1  0.72  0.25  0.72  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.62  0.62  0.62  1.0

Li Li Sc Ta
Li Li Sc Ta 0 3 o o o 0 2 + o + 0 1 + o + 1 2 o + + 1 2 o o o 1 3 o o o 