data_[Cr6Pb6N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7862]
_cell_length_b [7.4837]
_cell_length_c [8.4138]
_cell_angle_alpha [104.2104]
_cell_angle_beta [99.1977]
_cell_angle_gamma [96.9562]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cr3Pb3N5]
_chemical_formula_sum '[Cr6 Pb6 N10]'
_cell_volume [343.7193]
_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
[
  Cr  Cr0  2  0.0663  0.6769  0.0271  1
  Cr  Cr1  2  0.0868  0.9279  0.7222  1
  Cr  Cr2  2  0.3144  0.0010  0.3971  1
  Pb  Pb3  2  0.2400  0.5528  0.4597  1
  Pb  Pb4  2  0.3815  0.3299  0.7719  1
  Pb  Pb5  2  0.4315  0.1970  0.1341  1
  N  N6  2  0.0677  0.8571  0.2247  1
  N  N7  2  0.1177  0.8084  0.8806  1
  N  N8  2  0.1742  0.2042  0.4288  1
  N  N9  2  0.2242  0.4745  0.0339  1
  N  N10  2  0.3494  0.9492  0.6057  1
]