data_[Mn4In8Sb4Se24]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9479]
_cell_length_b [12.3032]
_cell_length_c [7.0579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnIn2SbSe6]
_chemical_formula_sum '[Mn4 In8 Sb4 Se24]'
_cell_volume [1105.0979]
_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  0.2580  0.7500  1.0
  In  In1  8  0.1720  0.4099  0.2927  1.0
  Sb  Sb2  4  0.0000  0.0952  0.2500  1.0
  Se  Se3  8  0.1140  0.1006  0.6412  1.0
  Se  Se4  8  0.1221  0.2380  0.0726  1.0
  Se  Se5  8  0.1341  0.3951  0.6456  1.0
]