data_LiTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.1
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   44.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcP2
_chemical_formula_sum   'Li1 Tc1 P2'
_cell_volume   59.06
_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
  Tc  Tc3  1  0.26  0.0  0.49  1.0
  P  P1  1  0.04  0.0  0.45  1.0
  P  P2  1  0.49  0.0  0.52  1.0

data_LiTcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.13
_cell_length_c   5.1
_cell_angle_alpha   101.8
_cell_angle_beta   90.0
_cell_angle_gamma   112.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcP2
_chemical_formula_sum   'Li1 Tc1 P2'
_cell_volume   59.06
_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
  Tc  Tc1  1  0.0  0.74  0.51  1.0
  P  P2  1  0.0  0.51  0.48  1.0
  P  P3  1  0.0  0.96  0.55  1.0

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