data_[Cs1Mn1Pb2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1298]
_cell_length_b [8.0923]
_cell_length_c [10.7323]
_cell_angle_alpha [76.3919]
_cell_angle_beta [77.1790]
_cell_angle_gamma [76.1735]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMn(PbI4)2]
_chemical_formula_sum '[Cs1 Mn1 Pb2 I8]'
_cell_volume [575.3238]
_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  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4131  0.4477  0.7365  1.0
  I  I3  2  0.1662  0.6966  0.2263  1.0
  I  I4  2  0.2382  0.2025  0.0136  1.0
  I  I5  2  0.2666  0.8612  0.8146  1.0
  I  I6  2  0.4277  0.2619  0.5083  1.0
]