data_[Ni9Sn2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7311]
_cell_length_b [3.7311]
_cell_length_c [11.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ni9Sn2Sb]
_chemical_formula_sum '[Ni9 Sn2 Sb1]'
_cell_volume [155.8492]
_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
[
  Ni  Ni0  4  0.0000  0.5000  0.1654  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  Ni  Ni2  2  0.5000  0.5000  0.3322  1
  Ni  Ni3  1  0.5000  0.5000  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.3340  1
  Sb  Sb5  1  0.0000  0.0000  0.0000  1
]