data_[Ta5Nb4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9495]
_cell_length_b [7.3335]
_cell_length_c [9.8420]
_cell_angle_alpha [89.8585]
_cell_angle_beta [82.3899]
_cell_angle_gamma [82.2231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta5(Nb2Sn)2]
_chemical_formula_sum '[Ta5 Nb4 Sn2]'
_cell_volume [209.0391]
_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
[
  Ta  Ta0  2  0.1815  0.4389  0.3524  1
  Ta  Ta1  2  0.3267  0.6372  0.9068  1
  Ta  Ta2  1  0.5000  0.0000  0.0000  1
  Nb  Nb3  2  0.0134  0.0835  0.2715  1
  Nb  Nb4  2  0.1367  0.2772  0.8289  1
  Sn  Sn5  2  0.3974  0.7929  0.4443  1
]