data_[Zr2Ti4Zn4Cu4]
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
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1242]
_cell_length_b [4.2576]
_cell_length_c [5.6575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTi2(ZnCu)2]
_chemical_formula_sum '[Zr2 Ti4 Zn4 Cu4]'
_cell_volume [219.4046]
_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  0.0000  1.0
  Ti  Ti1  4  0.1063  0.5000  0.6935  1.0
  Zn  Zn2  4  0.1954  0.5000  0.1858  1.0
  Cu  Cu3  4  0.1269  0.0000  0.4459  1.0
]