data_[Ti12V2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3136]
_cell_length_b [9.3039]
_cell_length_c [5.3367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti6VZn]
_chemical_formula_sum '[Ti12 V2 Zn2]'
_cell_volume [263.3371]
_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
[
  Ti  Ti0  8  0.1776  0.2214  0.7396  1
  Ti  Ti1  4  0.0384  0.5000  0.7443  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
]