data_InGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.87
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   114.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaTc2
_chemical_formula_sum   'In1 Ga1 Tc2'
_cell_volume   65.8
_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  In1  1  0.84  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.83  0.79  0.31  1.0
  Tc  Tc3  1  0.83  0.21  0.31  1.0

data_InGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.21
_cell_length_c   5.26
_cell_angle_alpha   117.86
_cell_angle_beta   102.83
_cell_angle_gamma   95.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaTc2
_chemical_formula_sum   'In1 Ga1 Tc2'
_cell_volume   65.8
_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  0.84  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.1  0.79  0.62  1.0
  Tc  Tc3  1  0.52  0.21  0.04  1.0

In Ga Tc Tc