data_[Ca2Pb2C2N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5736]
_cell_length_b [4.0499]
_cell_length_c [7.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaPbC(NCl)2]
_chemical_formula_sum '[Ca2 Pb2 C2 N4 Cl4]'
_cell_volume [274.9388]
_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
[
  Ca  Ca0  2  0.3126  0.0000  0.7289  1
  Pb  Pb1  2  0.1838  0.5000  0.2732  1
  C  C2  2  -0.0000  0.0000  0.5093  1
  N  N3  2  0.1185  0.0000  0.4603  1
  N  N4  2  0.3831  0.5000  0.5626  1
  Cl  Cl5  2  0.1278  0.5000  0.8323  1
  Cl  Cl6  2  0.3742  0.0000  0.1334  1
]