data_[Ta6Ni10Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.0835]
_cell_length_b [5.9823]
_cell_length_c [9.2870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ta3(NiSb)5]
_chemical_formula_sum '[Ta6 Ni10 Sb10]'
_cell_volume [515.9624]
_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
[
  Ta  Ta0  4  0.1973  0.8000  0.7985  1
  Ta  Ta1  2  0.0000  0.8071  0.0000  1
  Ni  Ni2  4  0.1091  0.5650  0.9156  1
  Ni  Ni3  4  0.1972  0.0494  0.2815  1
  Ni  Ni4  2  0.0000  0.0194  0.5000  1
  Sb  Sb5  4  0.1148  0.7941  0.4072  1
  Sb  Sb6  4  0.1772  0.2997  0.7741  1
  Sb  Sb7  2  0.0000  0.3073  0.0000  1
]