data_[Cs2Mn2Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2238]
_cell_length_b [12.2197]
_cell_length_c [7.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsMnPbCl6]
_chemical_formula_sum '[Cs2 Mn2 Pb2 Cl12]'
_cell_volume [658.3252]
_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
[
  Cs  Cs0  2  0.0000  0.0039  0.5000  1.0
  Mn  Mn1  2  0.0000  0.3342  0.0000  1.0
  Pb  Pb2  2  0.0000  0.6807  0.0000  1.0
  Cl  Cl3  4  0.1273  0.4659  0.1831  1.0
  Cl  Cl4  4  0.1433  0.2011  0.1777  1.0
  Cl  Cl5  4  0.2074  0.8217  0.2130  1.0
]