data_TcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   139.09
_cell_angle_beta   136.01
_cell_angle_gamma   61.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2
_chemical_formula_sum   'Tc1 P2'
_cell_volume   40.98
_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
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.16  1.0
  P  P1  1  0.0  0.0  0.57  1.0

data_TcP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.37
_cell_length_c   4.5
_cell_angle_alpha   111.99
_cell_angle_beta   110.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2
_chemical_formula_sum   'Tc1 P2'
_cell_volume   40.98
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.43  0.43  0.43  1.0
  P  P2  1  0.84  0.84  0.84  1.0

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