data_[Ta12Nb6Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0263]
_cell_length_b [4.7267]
_cell_length_c [9.9056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta6Nb3Zn]
_chemical_formula_sum '[Ta12 Nb6 Zn2]'
_cell_volume [358.9202]
_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  2  0.0496  0.7500  0.9073  1
  Ta  Ta1  2  0.1425  0.2500  0.6899  1
  Ta  Ta2  2  0.1535  0.7500  0.2027  1
  Ta  Ta3  2  0.2393  0.7500  0.5013  1
  Ta  Ta4  2  0.3666  0.2500  0.3013  1
  Ta  Ta5  2  0.4582  0.7500  0.1049  1
  Nb  Nb6  2  0.2477  0.2500  0.9980  1
  Nb  Nb7  2  0.3385  0.7500  0.7975  1
  Nb  Nb8  2  0.4423  0.2500  0.5956  1
  Zn  Zn9  2  0.0601  0.2500  0.3862  1
]