data_InTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.96
_cell_angle_alpha   105.13
_cell_angle_beta   105.13
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2P
_chemical_formula_sum   'In1 Tc2 P1'
_cell_volume   64.5
_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  0.92  0.0  0.0  1.0
  Tc  Tc2  1  0.79  0.09  0.32  1.0
  Tc  Tc3  1  0.79  0.91  0.32  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_InTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   110.09
_cell_angle_beta   105.13
_cell_angle_gamma   105.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2P
_chemical_formula_sum   'In1 Tc2 P1'
_cell_volume   64.5
_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  0.0  0.92  0.0  1.0
  Tc  Tc1  1  0.32  0.79  0.91  1.0
  Tc  Tc2  1  0.32  0.79  0.09  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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