data_[Cs1Mn1Pb2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5189]
_cell_length_b [5.5967]
_cell_length_c [7.6971]
_cell_angle_alpha [85.1404]
_cell_angle_beta [70.0654]
_cell_angle_gamma [83.9264]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMnPb2F8]
_chemical_formula_sum '[Cs1 Mn1 Pb2 F8]'
_cell_volume [221.9437]
_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  0.3968  0.4695  0.7687  1.0
  F  F3  2  0.0625  0.2706  0.1088  1.0
  F  F4  2  0.2163  0.7927  0.1012  1.0
  F  F5  2  0.2539  0.5076  0.5173  1.0
  F  F6  2  0.3298  0.0714  0.7554  1.0
]