data_In2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcP
_chemical_formula_sum   'In2 Tc1 P1'
_cell_volume   73.99
_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
  In  In0  1  0.5  0.97  0.52  1.0
  In  In1  1  0.5  0.03  0.52  1.0
  Tc  Tc3  1  0.99  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_In2TcP
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.05
_cell_length_b   3.04
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   In2TcP
_chemical_formula_sum   'In2 Tc1 P1'
_cell_volume   73.99
_cell_formula_units_Z   1
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
  In  In0  2  0.0  0.48  0.97  1.0
  Tc  Tc1  1  0.5  -0.0  0.0  1.0
  P  P2  1  0.5  0.0  0.0  1.0

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