data_[Mn4In8Bi4Se24]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9747]
_cell_length_b [12.4190]
_cell_length_c [7.1156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnIn2BiSe6]
_chemical_formula_sum '[Mn4 In8 Bi4 Se24]'
_cell_volume [1126.6351]
_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  0.2616  0.7500  1.0
  In  In1  8  0.1711  0.4118  0.2902  1.0
  Bi  Bi2  4  0.0000  0.0953  0.2500  1.0
  Se  Se3  8  0.1158  0.1021  0.6480  1.0
  Se  Se4  8  0.1229  0.2435  0.0679  1.0
  Se  Se5  8  0.1353  0.3949  0.6424  1.0
]