data_La2ZrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   112.68
_cell_angle_beta   112.68
_cell_angle_gamma   103.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrTc
_chemical_formula_sum   'La2 Zr1 Tc1'
_cell_volume   95.6
_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  0.77  0.0  0.55  1.0
  La  La1  1  0.0  0.0  0.11  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.77  0.55  1.0

data_La2ZrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   103.22
_cell_angle_beta   112.68
_cell_angle_gamma   112.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrTc
_chemical_formula_sum   'La2 Zr1 Tc1'
_cell_volume   95.6
_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  0.11  0.11  0.11  1.0
  La  La1  1  0.55  0.78  0.55  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.55  0.55  0.78  1.0

La La Zr Tc