data_[Zr2Pd12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9158]
_cell_length_b [4.0290]
_cell_length_c [8.4165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(Pd3Pt)2]
_chemical_formula_sum '[Zr2 Pd12 Pt4]'
_cell_volume [287.8398]
_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  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0007  0.0000  0.1684  1.0
  Pd  Pd2  4  0.1662  0.5000  0.0534  1.0
  Pd  Pd3  4  0.1665  0.5000  0.3851  1.0
  Pt  Pt4  4  0.1657  0.5000  0.7212  1.0
]