data_[Cs1Mn1Pb1F6]
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 [P1]
_cell_length_a [5.8566]
_cell_length_b [5.9149]
_cell_length_c [6.0149]
_cell_angle_alpha [89.5043]
_cell_angle_beta [62.4186]
_cell_angle_gamma [89.4730]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsMnPbF6]
_chemical_formula_sum '[Cs1 Mn1 Pb1 F6]'
_cell_volume [184.6757]
_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  0.0060  0.9431  0.9979  1.0
  Mn  Mn1  1  0.6720  0.5162  0.6662  1.0
  Pb  Pb2  1  0.3492  0.4380  0.3183  1.0
  F  F3  1  0.3956  0.3270  0.8760  1.0
  F  F4  1  0.4463  0.6918  0.5785  1.0
  F  F5  1  0.5475  0.7060  0.0133  1.0
  F  F6  1  0.7274  0.3319  0.3425  1.0
  F  F7  1  0.9001  0.3387  0.7333  1.0
  F  F8  1  0.9559  0.7071  0.4738  1.0
]