data_[Ba8Mn4Bi4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  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 [4.6404]
_cell_length_b [20.2596]
_cell_length_c [14.1257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MnBiTe5]
_chemical_formula_sum '[Ba8 Mn4 Bi4 Te20]'
_cell_volume [1327.9820]
_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
[
  Ba  Ba0  4  0.0000  0.1172  0.6948  1
  Ba  Ba1  4  0.0000  0.1228  0.3366  1
  Mn  Mn2  4  0.0000  0.4445  0.4197  1
  Bi  Bi3  4  0.0000  0.2005  0.0348  1
  Te  Te4  4  0.0000  0.0272  0.0064  1
  Te  Te5  4  0.0000  0.2923  0.6838  1
  Te  Te6  4  0.0000  0.3153  0.3751  1
  Te  Te7  4  0.0000  0.3472  0.0165  1
  Te  Te8  4  0.0000  0.4944  0.7563  1
]