data_LaRe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   150.39
_cell_angle_beta   130.09
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Tc
_chemical_formula_sum   'La1 Re2 Tc1'
_cell_volume   73.47
_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  0.0  0.0  0.05  1.0
  Re  Re1  1  0.48  0.0  0.23  1.0
  Re  Re2  1  0.0  0.45  0.82  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_LaRe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.9
_cell_length_c   5.81
_cell_angle_alpha   114.96
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Tc
_chemical_formula_sum   'La1 Re2 Tc1'
_cell_volume   73.47
_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  0.95  0.95  0.95  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.18  0.63  0.63  1.0
  Re  Re3  1  0.25  0.77  0.25  1.0

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