data_TcP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   139.27
_cell_angle_beta   120.65
_cell_angle_gamma   74.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP3
_chemical_formula_sum   'Tc1 P3'
_cell_volume   54.97
_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  Tc3  1  0.0  0.0  0.7  1.0
  P  P0  1  0.0  0.3  0.05  1.0
  P  P1  1  0.62  0.0  0.65  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TcP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.6
_cell_length_c   4.64
_cell_angle_alpha   119.67
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP3
_chemical_formula_sum   'Tc1 P3'
_cell_volume   54.97
_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  0.7  0.7  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.65  0.03  1.0
  P  P3  1  0.7  0.75  0.75  1.0

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