data_[Mn4Al4In8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7379]
_cell_length_b [11.5255]
_cell_length_c [6.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnAl(InSe3)2]
_chemical_formula_sum '[Mn4 Al4 In8 Se24]'
_cell_volume [1010.0276]
_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  0.0868  0.2500  1.0
  Al  Al1  4  0.0000  0.2473  0.7500  1.0
  In  In2  8  0.1793  0.4040  0.2842  1.0
  Se  Se3  8  0.1066  0.0806  0.6179  1.0
  Se  Se4  8  0.1147  0.2225  0.0798  1.0
  Se  Se5  8  0.1382  0.3874  0.6456  1.0
]