data_TcP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   102.72
_cell_angle_beta   102.72
_cell_angle_gamma   124.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP4
_chemical_formula_sum   'Tc1 P4'
_cell_volume   72.34
_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  Tc4  1  0.0  0.0  0.0  1.0
  P  P0  1  0.21  0.39  0.0  1.0
  P  P1  1  0.39  0.57  0.0  1.0
  P  P2  1  0.68  0.5  0.17  1.0
  P  P3  1  0.5  0.32  0.17  1.0

data_TcP4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   77.28
_cell_angle_beta   62.02
_cell_angle_gamma   62.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP4
_chemical_formula_sum   'Tc1 P4'
_cell_volume   72.34
_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  0.32  0.18  0.83  1.0
  P  P2  1  0.39  0.82  0.0  1.0
  P  P3  1  0.5  0.18  0.83  1.0
  P  P4  1  0.57  0.82  -0.0  1.0

Tc P P P P