data_[Ti4In5Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3204]
_cell_length_b [3.1198]
_cell_length_c [8.8889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti4In5Ni2]
_chemical_formula_sum '[Ti4 In5 Ni2]'
_cell_volume [202.2466]
_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
[
  Ti  Ti0  2  0.1937  0.5000  0.8413  1.0
  Ti  Ti1  2  0.1978  0.5000  0.4366  1.0
  In  In2  2  0.1480  0.0000  0.1398  1.0
  In  In3  2  0.4619  0.0000  0.6634  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0767  0.0000  0.6283  1.0
]