data_[Zr4P2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4374]
_cell_length_b [3.7713]
_cell_length_c [7.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2PPd]
_chemical_formula_sum '[Zr4 P2 Pd2]'
_cell_volume [147.0744]
_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  0.2117  0.7500  0.4177  1
  Zr  Zr1  2  0.2703  0.2500  0.0675  1
  P  P2  2  0.1254  0.7500  0.7954  1
  Pd  Pd3  2  0.3611  0.2500  0.7054  1
]