data_[Ta4Ti14Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1041]
_cell_length_b [7.5945]
_cell_length_c [7.3128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ti7Zn2]
_chemical_formula_sum '[Ta4 Ti14 Zn4]'
_cell_volume [379.4358]
_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  0.1058  0.5000  0.8429  1.0
  Ti  Ti1  8  0.2325  0.3157  0.1981  1.0
  Ti  Ti2  4  0.1487  0.0000  0.4151  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  4  0.0000  0.3196  0.5000  1.0
]