data_[Ca2Bi4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1484]
_cell_length_b [4.1832]
_cell_length_c [6.3852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(BiPd4)2]
_chemical_formula_sum '[Ca2 Bi4 Pd16]'
_cell_volume [396.3564]
_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  0.0000  0.5000  0.0000  1
  Bi  Bi1  4  0.1514  0.0000  0.2102  1
  Pd  Pd2  4  0.0454  0.0000  0.7188  1
  Pd  Pd3  4  0.0900  0.5000  0.4607  1
  Pd  Pd4  4  0.1764  0.5000  0.9063  1
  Pd  Pd5  4  0.2233  0.0000  0.6456  1
]