data_LaTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.86
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc3
_chemical_formula_sum   'La2 Tc6'
_cell_volume   162.61
_cell_formula_units_Z   2
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  0.1  0.0  0.63  1.0
  La  La1  1  0.0  0.93  0.98  1.0
  Tc  Tc2  1  0.0  0.0  0.24  1.0
  Tc  Tc3  1  0.1  0.93  0.36  1.0
  Tc  Tc4  1  0.1  0.46  0.86  1.0
  Tc  Tc5  1  0.1  0.4  0.86  1.0
  Tc  Tc6  1  0.0  0.39  0.74  1.0
  Tc  Tc7  1  0.0  0.47  0.74  1.0

data_LaTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.86
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc3
_chemical_formula_sum   'La2 Tc6'
_cell_volume   162.61
_cell_formula_units_Z   2
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  0.93  0.98  1.0
  La  La1  1  0.1  0.0  0.63  1.0
  Tc  Tc2  1  0.0  0.0  0.24  1.0
  Tc  Tc3  1  0.0  0.39  0.74  1.0
  Tc  Tc4  1  0.0  0.47  0.74  1.0
  Tc  Tc5  1  0.1  0.4  0.86  1.0
  Tc  Tc6  1  0.1  0.46  0.86  1.0
  Tc  Tc7  1  0.1  0.93  0.36  1.0

La La Tc Tc Tc Tc Tc Tc
La La Tc Tc Tc Tc Tc Tc 0 3 o - o 1 2 o + + 2 3 o - o 4 5 o o o 6 7 o o o 