data_[Cs4Sc2Mn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3646]
_cell_length_b [4.4489]
_cell_length_c [8.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sc(MnTe2)2]
_chemical_formula_sum '[Cs4 Sc2 Mn4 Te8]'
_cell_volume [622.0539]
_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  4  0.1319  0.0000  0.5580  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.1811  0.5000  0.9810  1.0
  Te  Te3  4  0.0178  0.5000  0.7854  1.0
  Te  Te4  4  0.1916  0.0000  0.1664  1.0
]