data_[Ca2P4Pd14Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9384]
_cell_length_b [6.9976]
_cell_length_c [11.4747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaP2Pd7Pb2]
_chemical_formula_sum '[Ca2 P4 Pd14 Pb4]'
_cell_volume [474.2869]
_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
  P  P1  4  0.1778  0.5000  0.1919  1.0
  Pd  Pd2  8  0.1400  0.2929  0.7938  1.0
  Pd  Pd3  4  0.1411  0.5000  0.3945  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1337  0.0000  0.3777  1.0
]