data_LiYTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.82
_cell_angle_alpha   100.15
_cell_angle_beta   100.15
_cell_angle_gamma   121.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYTc2
_chemical_formula_sum   'Li1 Y1 Tc2'
_cell_volume   67.94
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.69  0.0  0.0  1.0
  Tc  Tc1  1  0.84  0.4  0.32  1.0
  Tc  Tc2  1  0.84  0.6  0.32  1.0

data_LiYTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.1
_cell_length_c   5.5
_cell_angle_alpha   114.76
_cell_angle_beta   100.15
_cell_angle_gamma   100.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYTc2
_chemical_formula_sum   'Li1 Y1 Tc2'
_cell_volume   67.94
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.69  1.0
  Tc  Tc2  1  0.71  0.4  0.23  1.0
  Tc  Tc3  1  0.92  0.6  0.44  1.0

Li Y Tc Tc