data_InTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   136.96
_cell_angle_beta   136.96
_cell_angle_gamma   62.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Ni
_chemical_formula_sum   'In1 Tc2 Ni1'
_cell_volume   60.37
_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  0.0  0.34  1.0
  Tc  Tc2  1  0.86  0.0  0.17  1.0
  Tc  Tc3  1  0.0  0.86  0.17  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_InTc2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   121.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InTc2Ni
_chemical_formula_sum   'In2 Tc4 Ni2'
_cell_volume   120.74
_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
  In  In0  2  0.16  0.5  0.66  1.0
  Tc  Tc1  4  0.26  0.43  0.69  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

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