data_[Ca5Pd4Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4916]
_cell_length_b [3.4916]
_cell_length_c [19.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca5Pd4Pb]
_chemical_formula_sum '[Ca5 Pd4 Pb1]'
_cell_volume [236.4217]
_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
[
  Ca  Ca0  2  0.5000  0.5000  0.1257  1.0
  Ca  Ca1  2  0.5000  0.5000  0.3134  1.0
  Ca  Ca2  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.2191  1.0
  Pd  Pd4  2  0.0000  0.0000  0.4065  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]