data_Li2LaTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09
_cell_length_b   11.09
_cell_length_c   11.09
_cell_angle_alpha   15.94
_cell_angle_beta   15.94
_cell_angle_gamma   15.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaTa
_chemical_formula_sum   'Li2 La1 Ta1'
_cell_volume   89.73
_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  Li1  1  0.0  0.0  0.61  1.0
  Li  Li2  1  0.0  0.0  0.13  1.0
  La  La0  1  0.0  0.0  0.75  1.0
  Ta  Ta3  1  0.0  0.0  0.65  1.0

data_Li2LaTa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2LaTa
_chemical_formula_sum   'Li4 La2 Ta2'
_cell_volume   179.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.87  1.0
  Li  Li1  2  -0.0  0.0  0.39  1.0
  La  La2  2  -0.0  0.0  0.25  1.0
  Ta  Ta3  2  -0.0  0.0  0.35  1.0

Li Li La Ta
Li Li La Ta 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 