data_[Ni4Te4Pb4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.4843]
_cell_length_b [7.8635]
_cell_length_c [6.8252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [NiTePbO]
_chemical_formula_sum '[Ni4 Te4 Pb4 O4]'
_cell_volume [348.0166]
_cell_formula_units_Z [4]
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  4  0.0557  0.3026  0.5120  1
  Te  Te1  4  0.1500  0.4599  0.1904  1
  Pb  Pb2  4  0.0984  0.8561  0.4551  1
  O  O3  4  0.0715  0.9170  0.0925  1
]