data_[Cr1Cu4Pd7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3168]
_cell_length_b [4.3168]
_cell_length_c [10.6301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CrCu4Pd7]
_chemical_formula_sum '[Cr1 Cu4 Pd7]'
_cell_volume [171.5518]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  1  0.0000  0.0000  0.5000  1
  Cu  Cu1  2  0.3333  0.6667  0.6695  1
  Cu  Cu2  2  0.3333  0.6667  0.9083  1
  Pd  Pd3  2  0.0000  0.0000  0.2609  1
  Pd  Pd4  2  0.3333  0.6667  0.1525  1
  Pd  Pd5  2  0.3333  0.6667  0.4175  1
  Pd  Pd6  1  0.0000  0.0000  0.0000  1
]