data_LaTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.63
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcRu2
_chemical_formula_sum   'La1 Tc1 Ru2'
_cell_volume   70.76
_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  0.57  0.0  0.43  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.57  0.32  0.0  1.0
  Ru  Ru2  1  0.0  0.32  0.43  1.0

data_LaTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.63
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcRu2
_chemical_formula_sum   'La1 Tc1 Ru2'
_cell_volume   70.76
_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  0.57  0.0  0.43  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  -0.0  0.32  0.43  1.0
  Ru  Ru3  1  0.57  0.32  0.0  1.0

La Tc Ru Ru