data_[Cs2Mn2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [10.5436]
_cell_length_b [4.6038]
_cell_length_c [10.9493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMnBiTe3]
_chemical_formula_sum '[Cs2 Mn2 Bi2 Te6]'
_cell_volume [498.7671]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.2045  0.2500  0.2420  1.0
  Mn  Mn1  2  0.0837  0.2500  0.6055  1.0
  Bi  Bi2  2  0.3344  0.7500  0.8675  1.0
  Te  Te3  2  0.1234  0.2500  0.8632  1.0
  Te  Te4  2  0.1948  0.7500  0.5366  1.0
  Te  Te5  2  0.4682  0.7500  0.1603  1.0
]