data_[In2Tc2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.5028]
_cell_length_b [2.9582]
_cell_length_c [7.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [InTcNi]
_chemical_formula_sum '[In2 Tc2 Ni2]'
_cell_volume [92.2079]
_cell_formula_units_Z [2]
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  2  0.2869  0.1945  0.1559  1
  Tc  Tc1  1  0.0000  0.1412  0.5000  1
  Tc  Tc2  1  0.5000  0.7333  0.5000  1
  Ni  Ni3  2  0.2084  0.6778  0.8131  1
]