data_[Nb12In2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8204]
_cell_length_b [6.4090]
_cell_length_c [9.8329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nb6InSn]
_chemical_formula_sum '[Nb12 In2 Sn2]'
_cell_volume [303.7796]
_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
[
  Nb  Nb0  4  0.0000  0.2446  0.8542  1
  Nb  Nb1  4  0.5000  0.2465  0.6461  1
  Nb  Nb2  2  0.0000  0.0000  0.6168  1
  Nb  Nb3  2  0.5000  0.0000  0.8820  1
  In  In4  2  0.0000  0.0000  0.0996  1
  Sn  Sn5  2  0.5000  0.0000  0.4006  1
]