data_TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP
_chemical_formula_sum   'Tc2 P2'
_cell_volume   69.27
_cell_formula_units_Z   2
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
  Tc  Tc2  1  0.53  0.17  0.04  1.0
  Tc  Tc3  1  0.53  0.83  0.67  1.0
  P  P0  1  0.53  0.17  0.92  1.0
  P  P1  1  0.53  0.83  0.78  1.0

data_TcP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.47
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcP
_chemical_formula_sum   'Tc2 P2'
_cell_volume   69.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tc  Tc0  2  0.5  0.33  0.31  1.0
  P  P1  2  0.5  0.33  0.43  1.0

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