data_LaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc
_chemical_formula_sum   'La2 Tc2'
_cell_volume   105.35
_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  0.5  0.44  0.66  1.0
  La  La1  1  0.0  0.88  0.22  1.0
  Tc  Tc2  1  0.0  0.0  0.44  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_LaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc
_chemical_formula_sum   'La2 Tc2'
_cell_volume   105.35
_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  0.22  0.0  0.88  1.0
  La  La1  1  0.66  0.5  0.44  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.44  0.0  0.0  1.0

La La Tc Tc
La La Tc Tc 0 2 o o o 0 2 + + o 0 3 o o + 0 3 + + + 0 1 + o o 1 3 o + o 1 2 o + o 