data_Li2YTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.32
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YTc
_chemical_formula_sum   'Li2 Y1 Tc1'
_cell_volume   76.94
_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
  Li  Li0  1  0.18  0.16  0.32  1.0
  Li  Li1  1  0.15  0.0  0.54  1.0
  Y  Y3  1  0.5  0.0  0.36  1.0
  Tc  Tc2  1  0.03  0.16  0.97  1.0

data_Li2YTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.32
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YTc
_chemical_formula_sum   'Li2 Y1 Tc1'
_cell_volume   76.94
_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
  Li  Li0  1  0.15  0.0  0.54  1.0
  Li  Li1  1  0.18  0.16  0.32  1.0
  Y  Y2  1  0.5  0.0  0.36  1.0
  Tc  Tc3  1  0.03  0.16  0.97  1.0

Li Li Y Tc
Li Li Y Tc 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o - 