data_[Zr4Ti4Ga8Cu8]
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
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.3316]
_cell_length_b [4.1599]
_cell_length_c [12.4772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrTi(GaCu)2]
_chemical_formula_sum '[Zr4 Ti4 Ga8 Cu8]'
_cell_volume [407.7598]
_cell_formula_units_Z [4]
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  1  0.0615  0.5000  0.6235  1
  Zr  Zr1  1  0.3148  0.5000  0.1270  1
  Zr  Zr2  1  0.8115  0.5000  0.1259  1
  Zr  Zr3  1  0.9351  0.0000  0.8725  1
  Ti  Ti4  1  0.1880  0.0000  0.3765  1
  Ti  Ti5  1  0.4386  0.0000  0.8747  1
  Ti  Ti6  1  0.5619  0.5000  0.6242  1
  Ti  Ti7  1  0.6880  0.0000  0.3756  1
  Ga  Ga8  1  0.0652  0.0000  0.1302  1
  Ga  Ga9  1  0.1922  0.5000  0.8748  1
  Ga  Ga10  1  0.3159  0.0000  0.6216  1
  Ga  Ga11  1  0.4391  0.5000  0.3782  1
  Ga  Ga12  1  0.5628  0.0000  0.1254  1
  Ga  Ga13  1  0.6793  0.5000  0.8696  1
  Ga  Ga14  1  0.8041  0.0000  0.6211  1
  Ga  Ga15  1  0.9388  0.5000  0.3772  1
  Cu  Cu16  1  0.1344  0.0000  0.7520  1
  Cu  Cu17  1  0.2546  0.5000  0.4970  1
  Cu  Cu18  1  0.3798  0.0000  0.2582  1
  Cu  Cu19  1  0.4976  0.5000  0.9939  1
  Cu  Cu20  1  0.6160  0.0000  0.7452  1
  Cu  Cu21  1  0.7424  0.5000  0.4971  1
  Cu  Cu22  1  0.8785  0.0000  0.2581  1
  Cu  Cu23  1  0.9999  0.5000  0.0003  1
]