data_Li2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.02
_cell_angle_alpha   95.3
_cell_angle_beta   95.3
_cell_angle_gamma   34.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcP
_chemical_formula_sum   'Li2 Tc1 P1'
_cell_volume   54.18
_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  0.54  0.0  0.9  1.0
  Li  Li1  1  0.65  0.0  0.8  1.0
  Tc  Tc3  1  0.18  0.0  0.43  1.0
  P  P2  1  0.96  0.0  0.34  1.0

data_Li2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.38
_cell_length_c   5.02
_cell_angle_alpha   95.3
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcP
_chemical_formula_sum   'Li2 Tc1 P1'
_cell_volume   54.18
_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  0.35  0.2  1.0
  Li  Li1  1  0.0  0.46  0.1  1.0
  Tc  Tc2  1  0.0  0.82  0.57  1.0
  P  P3  1  0.0  0.04  0.66  1.0

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