data_[Y1Ni2Pb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2787]
_cell_length_b [5.3954]
_cell_length_c [5.5058]
_cell_angle_alpha [119.2386]
_cell_angle_beta [116.7192]
_cell_angle_gamma [90.3567]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YNi2PbO6]
_chemical_formula_sum '[Y1 Ni2 Pb1 O6]'
_cell_volume [116.9760]
_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
[
  Y  Y0  1  0.2029  0.6748  0.4592  1.0
  Ni  Ni1  1  0.4862  0.4536  0.9739  1.0
  Ni  Ni2  1  0.9737  0.9422  0.9565  1.0
  Pb  Pb3  1  0.7661  0.1698  0.4748  1.0
  O  O4  1  0.1372  0.6170  0.8181  1.0
  O  O5  1  0.1632  0.1237  0.8272  1.0
  O  O6  1  0.3745  0.2545  0.4781  1.0
  O  O7  1  0.6125  0.7518  0.4616  1.0
  O  O8  1  0.8006  0.2560  0.1162  1.0
  O  O9  1  0.8215  0.7717  0.1112  1.0
]