data_FeTcP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   22.85
_cell_angle_beta   22.85
_cell_angle_gamma   22.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcP2
_chemical_formula_sum   'Fe1 Tc1 P2'
_cell_volume   49.6
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.53  1.0
  P  P1  1  0.0  0.0  0.35  1.0
  P  P2  1  0.0  0.0  0.71  1.0

data_FeTcP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTcP2
_chemical_formula_sum   'Fe2 Tc2 P4'
_cell_volume   99.19
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  -0.0  0.0  0.47  1.0
  P  P2  2  -0.0  0.0  0.65  1.0
  P  P3  2  -0.0  0.0  0.29  1.0

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