data_[Zr2Zn8Ni2]
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 [Pmma]
_cell_length_a [6.8475]
_cell_length_b [4.0483]
_cell_length_c [6.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ZrZn4Ni]
_chemical_formula_sum '[Zr2 Zn8 Ni2]'
_cell_volume [184.8073]
_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  0.2500  0.0000  0.3797  1.0
  Zn  Zn1  4  0.0551  0.5000  0.6828  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  2  0.2500  0.5000  0.0485  1.0
  Ni  Ni4  2  0.2500  0.0000  0.7619  1.0
]