data_LaScTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.16
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScTc2
_chemical_formula_sum   'La1 Sc1 Tc2'
_cell_volume   88.64
_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  0.39  0.08  0.02  1.0
  Sc  Sc1  1  0.67  0.0  0.45  1.0
  Tc  Tc2  1  0.16  0.08  0.21  1.0
  Tc  Tc3  1  0.99  0.0  0.19  1.0

data_LaScTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.16
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScTc2
_chemical_formula_sum   'La1 Sc1 Tc2'
_cell_volume   88.64
_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  0.39  0.08  0.02  1.0
  Sc  Sc1  1  0.67  0.0  0.45  1.0
  Tc  Tc2  1  0.16  0.08  0.21  1.0
  Tc  Tc3  1  0.99  0.0  0.19  1.0

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