data_ReTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcP2
_chemical_formula_sum   'Re1 Tc1 P2'
_cell_volume   57.14
_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
  Re  Re2  1  0.0  0.0  0.81  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.47  0.0  0.89  1.0
  P  P1  1  0.47  0.0  0.73  1.0

data_ReTcP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.94
_cell_length_b   5.1
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTcP2
_chemical_formula_sum   'Re2 Tc2 P4'
_cell_volume   114.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.81  1.0
  P  P2  2  0.47  0.0  0.73  1.0
  P  P3  2  0.47  0.0  0.89  1.0

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