data_[Zr8Fe2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3989]
_cell_length_b [6.3118]
_cell_length_c [6.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr4FePd]
_chemical_formula_sum '[Zr8 Fe2 Pd2]'
_cell_volume [259.4645]
_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  8  0.2251  0.2529  0.2317  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.0000  0.5000  0.5000  1
]