data_[Zr4Ti4Si8Ni8]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.0690]
_cell_length_b [4.0285]
_cell_length_c [12.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrTi(SiNi)2]
_chemical_formula_sum '[Zr4 Ti4 Si8 Ni8]'
_cell_volume [370.7441]
_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  0.0618  0.5000  0.6239  1
  Zr  Zr1  1  0.3144  0.5000  0.1271  1
  Zr  Zr2  1  0.8121  0.5000  0.1260  1
  Zr  Zr3  1  0.9360  0.0000  0.8728  1
  Ti  Ti4  1  0.1890  0.0000  0.3770  1
  Ti  Ti5  1  0.4376  0.0000  0.8731  1
  Ti  Ti6  1  0.5597  0.5000  0.6228  1
  Ti  Ti7  1  0.6873  0.0000  0.3763  1
  Si  Si8  1  0.0654  0.0000  0.1308  1
  Si  Si9  1  0.1947  0.5000  0.8748  1
  Si  Si10  1  0.3174  0.0000  0.6221  1
  Si  Si11  1  0.4395  0.5000  0.3790  1
  Si  Si12  1  0.5630  0.0000  0.1255  1
  Si  Si13  1  0.6771  0.5000  0.8686  1
  Si  Si14  1  0.8009  0.0000  0.6200  1
  Si  Si15  1  0.9383  0.5000  0.3769  1
  Ni  Ni16  1  0.0003  0.5000  0.0006  1
  Ni  Ni17  1  0.1364  0.0000  0.7526  1
  Ni  Ni18  1  0.2546  0.5000  0.4969  1
  Ni  Ni19  1  0.3804  0.0000  0.2592  1
  Ni  Ni20  1  0.4979  0.5000  0.9933  1
  Ni  Ni21  1  0.6156  0.0000  0.7442  1
  Ni  Ni22  1  0.7416  0.5000  0.4973  1
  Ni  Ni23  1  0.8790  0.0000  0.2593  1
]