data_[Zr1Ni8Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7842]
_cell_length_b [4.7842]
_cell_length_c [7.7054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrNi8Pt3]
_chemical_formula_sum '[Zr1 Ni8 Pt3]'
_cell_volume [152.7376]
_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  0.4341  1.0
  Ni  Ni1  3  0.1646  0.3292  0.7541  1.0
  Ni  Ni2  3  0.5028  0.0056  0.2467  1.0
  Ni  Ni3  1  0.3333  0.6667  0.0046  1.0
  Ni  Ni4  1  0.3333  0.6667  0.5034  1.0
  Pt  Pt5  1  0.0000  0.0000  0.0604  1.0
  Pt  Pt6  1  0.6667  0.3333  0.5595  1.0
  Pt  Pt7  1  0.6667  0.3333  0.9353  1.0
]