data_[Nb2As6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.4740]
_cell_length_b [3.5097]
_cell_length_c [18.0693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbAs3Pb2]
_chemical_formula_sum '[Nb2 As6 Pb4]'
_cell_volume [1108.1601]
_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
[
  Nb  Nb0  2  0.4445  0.5000  0.4749  1
  As  As1  2  0.0627  0.5000  0.4550  1
  As  As2  2  0.3467  0.0000  0.4176  1
  As  As3  2  0.3785  0.0000  0.5587  1
  Pb  Pb4  2  0.0706  0.0000  0.5869  1
  Pb  Pb5  2  0.2281  0.5000  0.5070  1
]