data_[Cs6Sc4Mn2Te12]
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 [7.6650]
_cell_length_b [12.8011]
_cell_length_c [9.1758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sc2MnTe6]
_chemical_formula_sum '[Cs6 Sc4 Mn2 Te12]'
_cell_volume [860.4863]
_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  0.0000  0.1722  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3379  0.0000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2134  0.1595  0.1701  1.0
  Te  Te5  4  0.2264  0.5000  0.1867  1.0
]