data_[Mn4Sn8Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1278]
_cell_length_b [18.6693]
_cell_length_c [13.2344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnSn2BiSe5]
_chemical_formula_sum '[Mn4 Sn8 Bi4 Se20]'
_cell_volume [1019.8759]
_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  0.4258  0.3754  1
  Sn  Sn1  4  0.0000  0.0871  0.3607  1
  Sn  Sn2  4  0.0000  0.1450  0.7037  1
  Bi  Bi3  4  0.0000  0.2104  0.0406  1
  Se  Se4  4  0.0000  0.0411  0.9729  1
  Se  Se5  4  0.0000  0.2920  0.6945  1
  Se  Se6  4  0.0000  0.2960  0.3757  1
  Se  Se7  4  0.0000  0.3596  0.0510  1
  Se  Se8  4  0.0000  0.4795  0.7495  1
]