data_[Zr1Zn3Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7645]
_cell_length_b [4.7645]
_cell_length_c [7.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrZn3Ni8]
_chemical_formula_sum '[Zr1 Zn3 Ni8]'
_cell_volume [151.6398]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.4273  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0474  1.0
  Zn  Zn2  1  0.6667  0.3333  0.5801  1.0
  Zn  Zn3  1  0.6667  0.3333  0.9428  1.0
  Ni  Ni4  3  0.1642  0.8358  0.7521  1.0
  Ni  Ni5  3  0.5026  0.0052  0.2480  1.0
  Ni  Ni6  1  0.3333  0.6667  0.0010  1.0
  Ni  Ni7  1  0.3333  0.6667  0.5010  1.0
]