data_Tc2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.37
_cell_length_c   7.73
_cell_angle_alpha   95.8
_cell_angle_beta   101.67
_cell_angle_gamma   104.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2P3
_chemical_formula_sum   'Tc8 P12'
_cell_volume   290.69
_cell_formula_units_Z   4
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  Tc12  1  0.62  0.05  0.72  1.0
  Tc  Tc13  1  0.55  0.92  0.75  1.0
  Tc  Tc14  1  0.7  0.09  0.77  1.0
  Tc  Tc15  1  0.47  0.89  0.7  1.0
  Tc  Tc16  1  0.65  0.57  0.42  1.0
  Tc  Tc17  1  0.51  0.4  0.05  1.0
  Tc  Tc18  1  0.37  0.59  0.38  1.0
  Tc  Tc19  1  0.8  0.38  0.09  1.0
  P  P0  1  0.59  0.97  0.19  1.0
  P  P1  1  0.57  1.0  0.28  1.0
  P  P2  1  0.43  0.95  0.15  1.0
  P  P3  1  0.73  0.02  0.32  1.0
  P  P4  1  0.57  0.43  0.07  1.0
  P  P5  1  0.59  0.54  0.41  1.0
  P  P6  1  0.45  0.52  0.09  1.0
  P  P7  1  0.72  0.45  0.38  1.0
  P  P8  1  0.16  0.96  0.63  1.0
  P  P9  1  1.0  0.01  0.85  1.0
  P  P10  1  0.0  0.85  0.76  1.0
  P  P11  1  0.16  0.12  0.71  1.0

data_Tc2P3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.3
_cell_length_b   6.37
_cell_length_c   7.73
_cell_angle_alpha   95.8
_cell_angle_beta   101.67
_cell_angle_gamma   104.3
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tc2P3
_chemical_formula_sum   'Tc8 P12'
_cell_volume   290.69
_cell_formula_units_Z   4
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  0.28  0.1  0.15  1.0
  Tc  Tc1  2  0.38  0.4  0.47  1.0
  Tc  Tc2  2  0.43  0.91  0.81  1.0
  Tc  Tc3  2  0.46  0.43  0.51  1.0
  P  P4  2  0.08  0.64  0.48  1.0
  P  P5  2  0.08  0.47  0.39  1.0
  P  P6  2  0.35  0.46  0.92  1.0
  P  P7  2  0.36  0.03  0.86  1.0
  P  P8  2  0.49  0.94  0.83  1.0
  P  P9  2  0.49  0.51  0.04  1.0

Tc Tc Tc Tc Tc Tc Tc Tc P P P P P P P P P P P P
Tc Tc Tc Tc Tc Tc Tc Tc P P P P P P P P P P P P 0 2 o o o 1 3 o o o 4 13 o o o 4 6 o o o 4 15 o o o 5 12 o o o 5 7 o o o 5 14 o o o 6 13 o o o 7 12 o o o 8 9 o o o 8 10 o o o 8 11 o + o 9 10 o o o 9 11 o + o 12 14 o o o 13 15 o o o 16 19 o + o 17 18 + - o 