data_[Cs1Mn1Pb2Cl8]
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 [P-1]
_cell_length_a [6.7824]
_cell_length_b [7.1160]
_cell_length_c [8.5608]
_cell_angle_alpha [107.1863]
_cell_angle_beta [91.0207]
_cell_angle_gamma [90.5608]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMn(PbCl4)2]
_chemical_formula_sum '[Cs1 Mn1 Pb2 Cl8]'
_cell_volume [394.6130]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4519  0.9578  0.2452  1.0
  Cl  Cl3  2  0.0565  0.9123  0.2790  1.0
  Cl  Cl4  2  0.2368  0.7755  0.8829  1.0
  Cl  Cl5  2  0.2416  0.2406  0.0880  1.0
  Cl  Cl6  2  0.4791  0.2648  0.5308  1.0
]