data_LaMgTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTc2
_chemical_formula_sum   'La1 Mg1 Tc2'
_cell_volume   79.08
_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  0.64  0.0  0.23  1.0
  Mg  Mg1  1  0.0  0.0  0.06  1.0
  Tc  Tc2  1  0.64  0.0  0.66  1.0
  Tc  Tc3  1  0.0  0.0  0.74  1.0

data_LaMgTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTc2
_chemical_formula_sum   'La1 Mg1 Tc2'
_cell_volume   79.08
_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  0.64  0.0  0.23  1.0
  Mg  Mg1  1  0.0  0.0  0.06  1.0
  Tc  Tc2  1  0.0  0.0  0.74  1.0
  Tc  Tc3  1  0.64  0.0  0.66  1.0

La Mg Tc Tc
La Mg Tc Tc 0 1 + o o 2 3 + o o 