data_[Ti16Ni2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1441]
_cell_length_b [4.6677]
_cell_length_c [5.3190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8NiSb2]
_chemical_formula_sum '[Ti16 Ni2 Sb4]'
_cell_volume [375.8260]
_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
[
  Ti  Ti0  4  0.0430  0.0000  0.2699  1.0
  Ti  Ti1  4  0.0819  0.5000  0.5751  1.0
  Ti  Ti2  4  0.1569  0.5000  0.1161  1.0
  Ti  Ti3  4  0.2327  0.0000  0.3395  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.1535  0.0000  0.8097  1.0
]