data_LiTcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcP
_chemical_formula_sum   'Li1 Tc1 P1'
_cell_volume   41.44
_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  0.13  1.0
  Tc  Tc2  1  0.96  0.13  0.66  1.0
  P  P1  1  0.0  0.27  0.31  1.0

data_LiTcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.93
_cell_length_c   3.93
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcP
_chemical_formula_sum   'Li1 Tc1 P1'
_cell_volume   41.44
_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  0.13  0.0  0.0  1.0
  Tc  Tc1  1  0.66  0.96  0.13  1.0
  P  P2  1  0.31  -0.0  0.27  1.0

Li Tc P