data_[Zn4Ni40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8054]
_cell_length_b [3.4705]
_cell_length_c [27.7915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnNi10]
_chemical_formula_sum '[Zn4 Ni40]'
_cell_volume [752.8292]
_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
[
  Zn  Zn0  4  0.1508  0.0000  0.1995  1
  Ni  Ni1  4  0.0477  0.0000  0.6844  1
  Ni  Ni2  4  0.0489  0.5000  0.2571  1
  Ni  Ni3  4  0.0490  0.5000  0.5426  1
  Ni  Ni4  4  0.0521  0.0000  0.4007  1
  Ni  Ni5  4  0.1479  0.5000  0.6278  1
  Ni  Ni6  4  0.1500  0.0000  0.7694  1
  Ni  Ni7  4  0.1503  0.0000  0.4858  1
  Ni  Ni8  4  0.1516  0.5000  0.3435  1
  Ni  Ni9  4  0.2474  0.5000  0.7131  1
  Ni  Ni10  4  0.2483  0.0000  0.5710  1
]