data_[Zr4Co4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8425]
_cell_length_b [6.8425]
_cell_length_c [3.4332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2Co2Pd]
_chemical_formula_sum '[Zr4 Co4 Pd2]'
_cell_volume [160.7413]
_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  4  0.1747  0.3253  0.5000  1.0
  Co  Co1  4  0.1241  0.6241  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
]