data_[Mn4Sn8Bi4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3540]
_cell_length_b [19.2490]
_cell_length_c [13.8503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnSn2BiTe5]
_chemical_formula_sum '[Mn4 Sn8 Bi4 Te20]'
_cell_volume [1160.7938]
_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  0.4727  0.4421  1.0
  Sn  Sn1  4  0.0000  0.1117  0.6858  1.0
  Sn  Sn2  4  0.0000  0.1288  0.3312  1.0
  Bi  Bi3  4  0.0000  0.2105  0.0127  1.0
  Te  Te4  4  0.0000  0.0596  0.0509  1.0
  Te  Te5  4  0.0000  0.2692  0.6680  1.0
  Te  Te6  4  0.0000  0.3481  0.3519  1.0
  Te  Te7  4  0.0000  0.3935  0.0139  1.0
  Te  Te8  4  0.0000  0.4703  0.7674  1.0
]