data_[Ti8Zn3In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0522]
_cell_length_b [3.6250]
_cell_length_c [9.5494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti8Zn3In2]
_chemical_formula_sum '[Ti8 Zn3 In2]'
_cell_volume [236.0018]
_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
[
  Ti  Ti0  2  0.2791  0.0000  0.9348  1
  Ti  Ti1  2  0.2985  0.5000  0.4340  1
  Ti  Ti2  2  0.4600  0.5000  0.1365  1
  Ti  Ti3  2  0.4656  0.0000  0.6457  1
  Zn  Zn4  2  0.1581  0.0000  0.1994  1
  Zn  Zn5  1  0.0000  0.5000  0.0000  1
  In  In6  2  0.1253  0.5000  0.6793  1
]