data_[Mn2Pb2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.1883]
_cell_length_b [4.3432]
_cell_length_c [7.8565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnPbI4]
_chemical_formula_sum '[Mn2 Pb2 I8]'
_cell_volume [509.8002]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1
  Pb  Pb1  2  0.0000  0.5000  0.0000  1
  I  I2  4  0.1109  0.5000  0.3939  1
  I  I3  4  0.1197  0.0000  0.8374  1
]