data_[Co4Cu4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0416]
_cell_length_b [2.7609]
_cell_length_c [6.0344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoCuPd3]
_chemical_formula_sum '[Co4 Cu4 Pd12]'
_cell_volume [279.0786]
_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
[
  Co  Co0  4  0.1966  0.0000  0.3927  1.0
  Cu  Cu1  4  0.0001  0.0000  0.7860  1.0
  Pd  Pd2  4  0.0865  0.5000  0.5430  1.0
  Pd  Pd3  4  0.1115  0.5000  0.0602  1.0
  Pd  Pd4  4  0.2102  0.0000  0.8171  1.0
]