data_La2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.13
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   97.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReTc
_chemical_formula_sum   'La2 Re1 Tc1'
_cell_volume   100.85
_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
  La  La0  1  0.01  0.07  0.03  1.0
  La  La1  1  0.64  0.0  0.42  1.0
  Re  Re2  1  0.72  0.07  0.31  1.0
  Tc  Tc3  1  0.75  0.0  0.15  1.0

data_La2ReTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.13
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   97.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReTc
_chemical_formula_sum   'La2 Re1 Tc1'
_cell_volume   100.85
_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
  La  La0  1  0.01  0.07  0.03  1.0
  La  La1  1  0.64  0.0  0.42  1.0
  Re  Re2  1  0.72  0.07  0.31  1.0
  Tc  Tc3  1  0.75  0.0  0.15  1.0

La La Re Tc
La La Re Tc 0 3 - o o 1 2 o o o 2 3 o o o 