data_[Ta2Ti5Zn2]
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 [P-1]
_cell_length_a [2.8617]
_cell_length_b [7.0312]
_cell_length_c [7.7756]
_cell_angle_alpha [76.6869]
_cell_angle_beta [89.8525]
_cell_angle_gamma [88.1612]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2Ti5Zn2]
_chemical_formula_sum '[Ta2 Ti5 Zn2]'
_cell_volume [152.1675]
_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  0.1681  0.3295  0.1073  1
  Ti  Ti1  2  0.0492  0.6882  0.5424  1
  Ti  Ti2  2  0.4785  0.6370  0.2310  1
  Ti  Ti3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  2  0.4451  0.0009  0.6721  1
]