data_LaTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.46
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2
_chemical_formula_sum   'La2 Ta4'
_cell_volume   137.72
_cell_formula_units_Z   2
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
  La  La0  1  0.71  0.64  0.21  1.0
  La  La1  1  0.71  0.36  0.64  1.0
  Ta  Ta2  1  0.71  0.85  0.21  1.0
  Ta  Ta3  1  0.71  0.71  0.21  1.0
  Ta  Ta4  1  0.71  0.29  0.64  1.0
  Ta  Ta5  1  0.71  0.15  0.64  1.0

data_LaTa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.43
_cell_length_b   4.85
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   101.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaTa2
_chemical_formula_sum   'La2 Ta4'
_cell_volume   137.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  La  La0  2  0.36  0.29  0.36  1.0
  Ta  Ta1  2  0.15  0.29  0.15  1.0
  Ta  Ta2  2  0.29  0.29  0.29  1.0

La La Ta Ta Ta Ta
La La Ta Ta Ta Ta 0 3 o o o 1 4 o o o 2 3 o o o 4 5 o o o 