data_[Ca4Cu2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7357]
_cell_length_b [4.3588]
_cell_length_c [8.1330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2CuPd]
_chemical_formula_sum '[Ca4 Cu2 Pd2]'
_cell_volume [190.5652]
_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
[
  Ca  Ca0  2  0.2147  0.7500  0.4317  1.0
  Ca  Ca1  2  0.2202  0.7500  0.9279  1.0
  Cu  Cu2  2  0.3627  0.2500  0.2151  1.0
  Pd  Pd3  2  0.3665  0.2500  0.7164  1.0
]