data_[Zr10Ti2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0859]
_cell_length_b [3.2001]
_cell_length_c [16.6303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr5Ti]
_chemical_formula_sum '[Zr10 Ti2]'
_cell_volume [270.6637]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.3358  1.0
  Zr  Zr1  2  0.0000  0.0000  0.6617  1.0
  Zr  Zr2  2  0.5000  0.0000  0.1093  1.0
  Zr  Zr3  2  0.5000  0.0000  0.4483  1.0
  Zr  Zr4  2  0.5000  0.0000  0.7784  1.0
  Ti  Ti5  2  0.0000  0.0000  0.9998  1.0
]