data_[Zr4Sc4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6689]
_cell_length_b [3.4118]
_cell_length_c [7.6551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrScPd]
_chemical_formula_sum '[Zr4 Sc4 Pd4]'
_cell_volume [249.3741]
_cell_formula_units_Z [4]
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  0.0611  0.5000  0.5129  1
  Zr  Zr1  2  0.2966  0.0000  0.9196  1
  Sc  Sc2  2  0.0003  0.0000  0.8109  1
  Sc  Sc3  2  0.2504  0.5000  0.2423  1
  Pd  Pd4  2  0.0150  0.0000  0.1892  1
  Pd  Pd5  2  0.2934  0.0000  0.5501  1
]