data_[Ca8Bi8Pd4]
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 [11.6893]
_cell_length_b [4.6096]
_cell_length_c [11.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Bi2Pd]
_chemical_formula_sum '[Ca8 Bi8 Pd4]'
_cell_volume [565.5744]
_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
[
  Ca  Ca0  4  0.0108  0.5000  0.3403  1
  Ca  Ca1  4  0.1735  0.5000  0.1175  1
  Bi  Bi2  4  0.0421  0.0000  0.8800  1
  Bi  Bi3  4  0.1624  0.0000  0.5712  1
  Pd  Pd4  4  0.1946  0.0000  0.3268  1
]