data_[Ca2Yb4P4Pb2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4700]
_cell_length_b [4.4700]
_cell_length_c [15.0975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaYb2P2PbO]
_chemical_formula_sum '[Ca2 Yb4 P4 Pb2 O2]'
_cell_volume [301.6646]
_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  0.6723  1
  Yb  Yb1  4  0.0000  0.5000  0.4957  1
  P  P2  2  0.0000  0.0000  0.1341  1
  P  P3  2  0.0000  0.0000  0.8648  1
  Pb  Pb4  2  0.0000  0.0000  0.3150  1
  O  O5  2  0.0000  0.0000  0.5225  1
]