data_[Mn4In4Pb4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4054]
_cell_length_b [13.6401]
_cell_length_c [11.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnInPbI5]
_chemical_formula_sum '[Mn4 In4 Pb4 I20]'
_cell_volume [1486.0138]
_cell_formula_units_Z [4]
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  4  0.0000  0.3173  0.7500  1.0
  In  In1  4  0.0000  0.3540  0.2500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1360  0.2092  0.6393  1.0
  I  I4  8  0.1709  0.4362  0.9412  1.0
  I  I5  4  0.0000  0.1028  0.2500  1.0
]