data_[Zr4As2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4761]
_cell_length_b [3.9213]
_cell_length_c [7.7062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2AsPd]
_chemical_formula_sum '[Zr4 As2 Pd2]'
_cell_volume [155.2820]
_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  0.2044  0.7500  0.4228  1.0
  Zr  Zr1  2  0.2101  0.7500  0.9278  1.0
  As  As2  2  0.3303  0.2500  0.2022  1.0
  Pd  Pd3  2  0.3344  0.2500  0.6979  1.0
]