data_[Zr8In4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2387]
_cell_length_b [7.2387]
_cell_length_c [6.6706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Zr2InNi2]
_chemical_formula_sum '[Zr8 In4 Ni8]'
_cell_volume [349.5347]
_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  4  0.1613  0.1613  0.5000  1.0
  Zr  Zr1  4  0.1769  0.1769  0.0000  1.0
  In  In2  4  0.0000  0.5000  0.2500  1.0
  Ni  Ni3  8  0.1248  0.8752  0.2304  1.0
]