data_[Ca2Bi10Pd12]
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 [5.7266]
_cell_length_b [13.5042]
_cell_length_c [7.2715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaBi5Pd6]
_chemical_formula_sum '[Ca2 Bi10 Pd12]'
_cell_volume [548.3005]
_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  0.0000  0.0000  1.0
  Bi  Bi1  4  0.0000  0.3159  0.0000  1.0
  Bi  Bi2  4  0.0000  0.3574  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.0705  0.1785  0.7071  1.0
  Pd  Pd5  4  0.0871  0.5000  0.1994  1.0
]