data_[Mn20In4Se32]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.9371]
_cell_length_b [10.9371]
_cell_length_c [10.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Mn5InSe8]
_chemical_formula_sum '[Mn20 In4 Se32]'
_cell_volume [1308.2888]
_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  16  0.1274  0.1274  0.3726  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.2500  0.2500  0.7500  1
  Se  Se3  16  0.1109  0.1109  0.6109  1
  Se  Se4  16  0.1332  0.1332  0.1332  1
]