data_[Zr9In3Ni24]
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 [R3m]
_cell_length_a [4.9159]
_cell_length_b [4.9159]
_cell_length_c [24.1766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr3InNi8]
_chemical_formula_sum '[Zr9 In3 Ni24]'
_cell_volume [505.9821]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0044  1
  Zr  Zr1  3  0.0000  0.0000  0.4961  1
  Zr  Zr2  3  0.0000  0.0000  0.6219  1
  In  In3  3  0.0000  0.0000  0.1282  1
  Ni  Ni4  9  0.0030  0.5015  0.5641  1
  Ni  Ni5  9  0.1681  0.3363  0.3942  1
  Ni  Ni6  3  0.0000  0.0000  0.3123  1
  Ni  Ni7  3  0.0000  0.0000  0.8121  1
]