data_[Ni2Pb4Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0546]
_cell_length_b [6.4665]
_cell_length_c [5.7627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiPb2(SeO3)2]
_chemical_formula_sum '[Ni2 Pb4 Se4 O12]'
_cell_volume [378.8894]
_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
[
  Ni  Ni0  2  0.0000  0.5000  0.5000  1
  Pb  Pb1  4  0.1651  0.5000  0.1684  1
  Se  Se2  4  0.0235  0.0000  0.2706  1
  O  O3  8  0.0121  0.3056  0.2608  1
  O  O4  4  0.1920  0.0000  0.3713  1
]