data_[Ti4Zn5Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8596]
_cell_length_b [2.6428]
_cell_length_c [9.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti4Zn5Cu2]
_chemical_formula_sum '[Ti4 Zn5 Cu2]'
_cell_volume [164.0101]
_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  0.1462  0.5000  0.8893  1
  Ti  Ti1  2  0.2821  0.5000  0.4498  1
  Zn  Zn2  2  0.2064  0.0000  0.1700  1
  Zn  Zn3  2  0.4272  0.0000  0.7111  1
  Zn  Zn4  1  0.5000  0.0000  0.0000  1
  Cu  Cu5  2  0.0547  0.0000  0.6353  1
]