data_[Zr6Sb4As4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.3321]
_cell_length_b [6.3321]
_cell_length_c [12.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Zr3Sb2(AsPd2)2]
_chemical_formula_sum '[Zr6 Sb4 As4 Pd8]'
_cell_volume [481.8739]
_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  0.2500  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0000  0.0000  0.2609  1
  As  As3  4  0.0000  0.5000  0.0000  1
  Pd  Pd4  8  0.2444  0.2444  0.8772  1
]