data_[Zr2In2Fe1Cu2Pd1]
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
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5746]
_cell_length_b [4.5746]
_cell_length_c [6.5104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Zr2In2FeCu2Pd]
_chemical_formula_sum '[Zr2 In2 Fe1 Cu2 Pd1]'
_cell_volume [136.2403]
_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  2  0.0000  0.5000  0.2553  1
  In  In1  2  0.0000  0.5000  0.7411  1
  Fe  Fe2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  1  0.0000  0.0000  0.0000  1
  Cu  Cu4  1  0.5000  0.5000  0.5000  1
  Pd  Pd5  1  0.5000  0.5000  0.0000  1
]