data_[Ca2Bi4P4Pd14]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0029]
_cell_length_b [6.8985]
_cell_length_c [11.5033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaBi2P2Pd7]
_chemical_formula_sum '[Ca2 Bi4 P4 Pd14]'
_cell_volume [474.7872]
_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  0.1415  0.0000  0.3800  1.0
  P  P2  4  0.1738  0.5000  0.1893  1.0
  Pd  Pd3  8  0.1395  0.2926  0.7919  1.0
  Pd  Pd4  4  0.1318  0.5000  0.3935  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]