data_[Cd3P4Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3440]
_cell_length_b [9.7058]
_cell_length_c [19.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3P4Pb3]
_chemical_formula_sum '[Cd3 P4 Pb3]'
_cell_volume [826.8044]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  2  0.5840  0.3600  0.4171  1
  Cd  Cd1  1  0.4093  0.0000  0.4122  1
  P  P2  2  0.0429  0.1969  0.4513  1
  P  P3  1  0.5324  0.5000  0.5540  1
  P  P4  1  0.8443  0.0000  0.4994  1
  Pb  Pb5  2  0.3504  0.2323  0.5752  1
  Pb  Pb6  1  0.0107  0.5000  0.6473  1
]