data_[Zr4As2Pd16]
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 [Immm]
_cell_length_a [4.6729]
_cell_length_b [5.7517]
_cell_length_c [13.8005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr2AsPd8]
_chemical_formula_sum '[Zr4 As2 Pd16]'
_cell_volume [370.9210]
_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  0.0000  0.5000  0.1891  1.0
  As  As1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.0000  0.2399  0.6342  1.0
  Pd  Pd3  4  0.0000  0.0000  0.1887  1.0
  Pd  Pd4  4  0.0000  0.2479  0.0000  1.0
]